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/36-VP1-79e8947d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/36-VP1-79e8947d/inputs/seq.fa: 1
curr_seq: _GAACACCGAUCAUAAAGCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAACACCGAUCAUAAAGCGUA
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/36-VP1-79e8947d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/36-VP1-79e8947d/inputs/seq.fa: 1
curr_seq: _GAACACCGAUCAUAAAGCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAACACCGAUCAUAAAGCGUA
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/36-VP1-79e8947d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/36-VP1-79e8947d/inputs/seq.fa: 1
curr_seq: _GAACACCGAUCAUAAAGCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAACACCGAUCAUAAAGCGUA
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/36-VP1-79e8947d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/36-VP1-79e8947d/inputs/seq.fa: 1
curr_seq: _GAACACCGAUCAUAAAGCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAACACCGAUCAUAAAGCGUA
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/36-VP1-79e8947d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/36-VP1-79e8947d/inputs/seq.fa: 1
curr_seq: _GAACACCGAUCAUAAAGCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAACACCGAUCAUAAAGCGUA
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/36-VP1-79e8947d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/36-VP1-79e8947d/inputs/seq.fa: 1
curr_seq: _GAACACCGAUCAUAAAGCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAACACCGAUCAUAAAGCGUA
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/36-VP1-79e8947d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/36-VP1-79e8947d/inputs/seq.fa: 1
curr_seq: _GAACACCGAUCAUAAAGCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAACACCGAUCAUAAAGCGUA
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/36-VP1-79e8947d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/36-VP1-79e8947d/inputs/seq.fa: 1
curr_seq: _GAACACCGAUCAUAAAGCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAACACCGAUCAUAAAGCGUA
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/36-VP1-79e8947d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/36-VP1-79e8947d/inputs/seq.fa: 1
curr_seq: _GAACACCGAUCAUAAAGCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAACACCGAUCAUAAAGCGUA
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/36-VP1-79e8947d/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/36-VP1-79e8947d/inputs/seq.fa: 1
curr_seq: _GAACACCGAUCAUAAAGCGUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GAACACCGAUCAUAAAGCGUA
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: -78.001480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.001480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.001480 (E_RNA)
where:
Base-Base interactions energy: 0.181
where: short stacking energy: 0.181
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: -78.001480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.001480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.001480 (E_RNA)
where:
Base-Base interactions energy: 0.181
where: short stacking energy: 0.181
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: -78.001480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.001480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.001480 (E_RNA)
where:
Base-Base interactions energy: 0.181
where: short stacking energy: 0.181
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: -78.001480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.001480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.001480 (E_RNA)
where:
Base-Base interactions energy: 0.181
where: short stacking energy: 0.181
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: -78.001480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.001480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.001480 (E_RNA)
where:
Base-Base interactions energy: 0.181
where: short stacking energy: 0.181
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: -78.001480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.001480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.001480 (E_RNA)
where:
Base-Base interactions energy: 0.181
where: short stacking energy: 0.181
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: -78.001480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.001480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.001480 (E_RNA)
where:
Base-Base interactions energy: 0.181
where: short stacking energy: 0.181
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: -78.001480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.001480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.001480 (E_RNA)
where:
Base-Base interactions energy: 0.181
where: short stacking energy: 0.181
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: -78.001480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.001480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.001480 (E_RNA)
where:
Base-Base interactions energy: 0.181
where: short stacking energy: 0.181
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: -78.001480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.001480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.001480 (E_RNA)
where:
Base-Base interactions energy: 0.181
where: short stacking energy: 0.181
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: -118.405473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.405473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.405473 (E_RNA)
where:
Base-Base interactions energy: -62.639
where: short stacking energy: -44.781
Base-Backbone interact. energy: -0.175
local terms energy: -55.591283
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -119.054978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.054978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.054978 (E_RNA)
where:
Base-Base interactions energy: -59.465
where: short stacking energy: -46.574
Base-Backbone interact. energy: -0.103
local terms energy: -59.486877
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -10.738
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: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -118.511541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.511541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.511541 (E_RNA)
where:
Base-Base interactions energy: -51.791
where: short stacking energy: -38.108
Base-Backbone interact. energy: -0.096
local terms energy: -66.624097
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -9.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -108.461832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.461832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.461832 (E_RNA)
where:
Base-Base interactions energy: -49.702
where: short stacking energy: -42.969
Base-Backbone interact. energy: -0.144
local terms energy: -58.615858
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -6.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -102.178862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.178862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.178862 (E_RNA)
where:
Base-Base interactions energy: -47.722
where: short stacking energy: -27.561
Base-Backbone interact. energy: -0.410
local terms energy: -54.047552
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -7.872
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -107.357664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.357664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.357664 (E_RNA)
where:
Base-Base interactions energy: -52.864
where: short stacking energy: -39.248
Base-Backbone interact. energy: -0.001
local terms energy: -54.492219
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -81.485680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.485680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.485680 (E_RNA)
where:
Base-Base interactions energy: -38.486
where: short stacking energy: -32.893
Base-Backbone interact. energy: 0.398
local terms energy: -43.397774
where:
bonds (distance) C4'-P energy: -8.414
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -4.353
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -83.137866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.137866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.137866 (E_RNA)
where:
Base-Base interactions energy: -32.825
where: short stacking energy: -28.897
Base-Backbone interact. energy: -0.028
local terms energy: -50.284574
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: 0.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -89.038430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.038430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.038430 (E_RNA)
where:
Base-Base interactions energy: -28.807
where: short stacking energy: -28.807
Base-Backbone interact. energy: -0.163
local terms energy: -60.068572
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -83.233894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.233894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.233894 (E_RNA)
where:
Base-Base interactions energy: -35.170
where: short stacking energy: -35.170
Base-Backbone interact. energy: -0.010
local terms energy: -48.053684
where:
bonds (distance) C4'-P energy: -9.034
bonds (distance) P-C4' energy: -4.517
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -129.837314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.837314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.837314 (E_RNA)
where:
Base-Base interactions energy: -69.634
where: short stacking energy: -53.419
Base-Backbone interact. energy: 0.083
local terms energy: -60.286835
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -13.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -139.155685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.155685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.155685 (E_RNA)
where:
Base-Base interactions energy: -76.264
where: short stacking energy: -38.250
Base-Backbone interact. energy: -1.512
local terms energy: -61.380459
where:
bonds (distance) C4'-P energy: -10.678
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -11.549
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -119.213706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.213706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.213706 (E_RNA)
where:
Base-Base interactions energy: -45.711
where: short stacking energy: -45.315
Base-Backbone interact. energy: -1.023
local terms energy: -72.480228
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -14.015
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -123.902546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.902546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.902546 (E_RNA)
where:
Base-Base interactions energy: -64.895
where: short stacking energy: -35.441
Base-Backbone interact. energy: -0.385
local terms energy: -58.622403
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -128.205568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.205568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.205568 (E_RNA)
where:
Base-Base interactions energy: -71.903
where: short stacking energy: -32.047
Base-Backbone interact. energy: -0.242
local terms energy: -56.060940
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -126.053176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.053176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.053176 (E_RNA)
where:
Base-Base interactions energy: -66.425
where: short stacking energy: -35.391
Base-Backbone interact. energy: -0.278
local terms energy: -59.350056
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -81.373558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.373558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.373558 (E_RNA)
where:
Base-Base interactions energy: -29.735
where: short stacking energy: -29.735
Base-Backbone interact. energy: -0.144
local terms energy: -51.494514
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -96.683917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.683917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.683917 (E_RNA)
where:
Base-Base interactions energy: -36.625
where: short stacking energy: -31.001
Base-Backbone interact. energy: -0.637
local terms energy: -59.421745
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -6.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -85.151133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.151133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.151133 (E_RNA)
where:
Base-Base interactions energy: -37.896
where: short stacking energy: -24.211
Base-Backbone interact. energy: -0.340
local terms energy: -46.914607
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -78.362577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.362577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.362577 (E_RNA)
where:
Base-Base interactions energy: -32.317
where: short stacking energy: -18.807
Base-Backbone interact. energy: -0.170
local terms energy: -45.875457
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -8.399
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: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -157.520499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.520499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.520499 (E_RNA)
where:
Base-Base interactions energy: -97.120
where: short stacking energy: -41.831
Base-Backbone interact. energy: -0.182
local terms energy: -60.218079
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -4.525
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -133.579096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.579096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.579096 (E_RNA)
where:
Base-Base interactions energy: -68.524
where: short stacking energy: -50.920
Base-Backbone interact. energy: 0.598
local terms energy: -65.653110
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -9.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -147.003990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.003990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.003990 (E_RNA)
where:
Base-Base interactions energy: -89.555
where: short stacking energy: -35.401
Base-Backbone interact. energy: -0.441
local terms energy: -57.007361
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -3.958
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: 4
Temperature: 1.050000
Total energy: -111.052027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.052027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.052027 (E_RNA)
where:
Base-Base interactions energy: -54.076
where: short stacking energy: -50.486
Base-Backbone interact. energy: -0.545
local terms energy: -56.430215
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -11.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -94.084232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.084232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.084232 (E_RNA)
where:
Base-Base interactions energy: -40.379
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.092
local terms energy: -53.613954
where:
bonds (distance) C4'-P energy: -8.929
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -7.571
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: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -95.039397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.039397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.039397 (E_RNA)
where:
Base-Base interactions energy: -32.002
where: short stacking energy: -22.933
Base-Backbone interact. energy: -0.571
local terms energy: -62.465955
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -5.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -154.241695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.241695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.241695 (E_RNA)
where:
Base-Base interactions energy: -95.464
where: short stacking energy: -46.210
Base-Backbone interact. energy: -0.046
local terms energy: -58.731395
where:
bonds (distance) C4'-P energy: -8.969
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -14.030
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: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -80.000146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.000146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.000146 (E_RNA)
where:
Base-Base interactions energy: -37.013
where: short stacking energy: -29.623
Base-Backbone interact. energy: 0.235
local terms energy: -43.222070
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: 0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -73.759441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.759441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.759441 (E_RNA)
where:
Base-Base interactions energy: -28.029
where: short stacking energy: -28.029
Base-Backbone interact. energy: -0.236
local terms energy: -45.494161
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -7.084
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -94.974120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.974120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.974120 (E_RNA)
where:
Base-Base interactions energy: -55.840
where: short stacking energy: -28.514
Base-Backbone interact. energy: -0.037
local terms energy: -39.097091
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -7.461
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: 2.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -156.899203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.899203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.899203 (E_RNA)
where:
Base-Base interactions energy: -98.123
where: short stacking energy: -30.898
Base-Backbone interact. energy: -0.288
local terms energy: -58.487535
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -152.116418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.116418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.116418 (E_RNA)
where:
Base-Base interactions energy: -87.526
where: short stacking energy: -58.313
Base-Backbone interact. energy: -0.298
local terms energy: -64.292906
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -14.652
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -143.195699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.195699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.195699 (E_RNA)
where:
Base-Base interactions energy: -85.864
where: short stacking energy: -44.099
Base-Backbone interact. energy: -0.051
local terms energy: -57.280824
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -8.618
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -11.272
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: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -127.858637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.858637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.858637 (E_RNA)
where:
Base-Base interactions energy: -62.528
where: short stacking energy: -50.580
Base-Backbone interact. energy: -0.001
local terms energy: -65.330191
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -103.502634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.502634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.502634 (E_RNA)
where:
Base-Base interactions energy: -43.736
where: short stacking energy: -43.736
Base-Backbone interact. energy: -0.045
local terms energy: -59.722138
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -9.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -126.685968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.685968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.685968 (E_RNA)
where:
Base-Base interactions energy: -69.519
where: short stacking energy: -40.284
Base-Backbone interact. energy: -0.295
local terms energy: -56.872309
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -5.658
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: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -95.469721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.469721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.469721 (E_RNA)
where:
Base-Base interactions energy: -38.776
where: short stacking energy: -26.961
Base-Backbone interact. energy: 0.220
local terms energy: -56.914259
where:
bonds (distance) C4'-P energy: -8.457
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -4.153
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: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -98.156443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.156443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.156443 (E_RNA)
where:
Base-Base interactions energy: -43.481
where: short stacking energy: -27.114
Base-Backbone interact. energy: 2.005
local terms energy: -56.681290
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -7.193
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: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -76.010418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.010418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.010418 (E_RNA)
where:
Base-Base interactions energy: -25.707
where: short stacking energy: -25.707
Base-Backbone interact. energy: -0.130
local terms energy: -50.172710
where:
bonds (distance) C4'-P energy: -11.462
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -10.761
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: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -81.210169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.210169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.210169 (E_RNA)
where:
Base-Base interactions energy: -27.132
where: short stacking energy: -24.678
Base-Backbone interact. energy: -0.019
local terms energy: -54.058739
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -6.052
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -178.739018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.739018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.739018 (E_RNA)
where:
Base-Base interactions energy: -105.594
where: short stacking energy: -58.294
Base-Backbone interact. energy: -1.363
local terms energy: -71.782382
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -8.707
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: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -171.150210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.150210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.150210 (E_RNA)
where:
Base-Base interactions energy: -105.395
where: short stacking energy: -50.303
Base-Backbone interact. energy: -0.079
local terms energy: -65.675674
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -9.447
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -9.285
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: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -153.391145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.391145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.391145 (E_RNA)
where:
Base-Base interactions energy: -84.522
where: short stacking energy: -54.151
Base-Backbone interact. energy: -0.893
local terms energy: -67.976428
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -10.802
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: 4, replica: 7
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -137.467110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.467110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.467110 (E_RNA)
where:
Base-Base interactions energy: -60.476
where: short stacking energy: -60.476
Base-Backbone interact. energy: -0.002
local terms energy: -76.988984
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -11.989
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: 6
Temperature: 1.100000
Total energy: -124.483832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.483832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.483832 (E_RNA)
where:
Base-Base interactions energy: -59.464
where: short stacking energy: -45.933
Base-Backbone interact. energy: -0.003
local terms energy: -65.016030
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -9.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -94.893983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.893983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.893983 (E_RNA)
where:
Base-Base interactions energy: -43.131
where: short stacking energy: -28.787
Base-Backbone interact. energy: 1.956
local terms energy: -53.719432
where:
bonds (distance) C4'-P energy: -10.512
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -6.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -89.556255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.556255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.556255 (E_RNA)
where:
Base-Base interactions energy: -41.055
where: short stacking energy: -31.627
Base-Backbone interact. energy: -0.242
local terms energy: -48.259497
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -83.586297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.586297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.586297 (E_RNA)
where:
Base-Base interactions energy: -30.102
where: short stacking energy: -23.492
Base-Backbone interact. energy: -0.031
local terms energy: -53.454024
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -86.956535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.956535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.956535 (E_RNA)
where:
Base-Base interactions energy: -37.775
where: short stacking energy: -24.252
Base-Backbone interact. energy: -0.158
local terms energy: -49.022842
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -1.749
tors. eta vs tors. theta energy: -8.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -79.267015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.267015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.267015 (E_RNA)
where:
Base-Base interactions energy: -28.923
where: short stacking energy: -25.983
Base-Backbone interact. energy: -0.002
local terms energy: -50.341442
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -6.904
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -7.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -181.104226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.104226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.104226 (E_RNA)
where:
Base-Base interactions energy: -105.875
where: short stacking energy: -57.047
Base-Backbone interact. energy: -0.006
local terms energy: -75.223928
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -14.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -181.744740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.744740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.744740 (E_RNA)
where:
Base-Base interactions energy: -111.903
where: short stacking energy: -55.840
Base-Backbone interact. energy: 0.824
local terms energy: -70.666029
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -164.242029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.242029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.242029 (E_RNA)
where:
Base-Base interactions energy: -94.650
where: short stacking energy: -52.886
Base-Backbone interact. energy: -0.013
local terms energy: -69.578600
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -14.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -111.124179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.124179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.124179 (E_RNA)
where:
Base-Base interactions energy: -51.453
where: short stacking energy: -42.649
Base-Backbone interact. energy: -0.096
local terms energy: -59.574625
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -7.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -96.552683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.552683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.552683 (E_RNA)
where:
Base-Base interactions energy: -44.519
where: short stacking energy: -25.927
Base-Backbone interact. energy: -0.351
local terms energy: -51.682132
where:
bonds (distance) C4'-P energy: -8.085
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -108.294627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.294627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.294627 (E_RNA)
where:
Base-Base interactions energy: -49.026
where: short stacking energy: -26.408
Base-Backbone interact. energy: 0.525
local terms energy: -59.793494
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -87.073821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.073821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.073821 (E_RNA)
where:
Base-Base interactions energy: -45.071
where: short stacking energy: -39.497
Base-Backbone interact. energy: -0.234
local terms energy: -41.768499
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -1.590
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: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -90.271330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.271330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.271330 (E_RNA)
where:
Base-Base interactions energy: -31.878
where: short stacking energy: -22.416
Base-Backbone interact. energy: -0.174
local terms energy: -58.219064
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -7.805
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: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -82.348459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.348459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.348459 (E_RNA)
where:
Base-Base interactions energy: -31.025
where: short stacking energy: -31.025
Base-Backbone interact. energy: -0.064
local terms energy: -51.259806
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -1.991
tors. eta vs tors. theta energy: -6.419
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: 7
Temperature: 1.350000
Total energy: -69.310148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.310148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.310148 (E_RNA)
where:
Base-Base interactions energy: -18.662
where: short stacking energy: -16.121
Base-Backbone interact. energy: -0.323
local terms energy: -50.324629
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: 5.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -179.385918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.385918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.385918 (E_RNA)
where:
Base-Base interactions energy: -109.802
where: short stacking energy: -52.845
Base-Backbone interact. energy: -0.031
local terms energy: -69.552213
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -181.244613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.244613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.244613 (E_RNA)
where:
Base-Base interactions energy: -111.154
where: short stacking energy: -52.036
Base-Backbone interact. energy: -0.035
local terms energy: -70.055625
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -7.702
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: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -175.251101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.251101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.251101 (E_RNA)
where:
Base-Base interactions energy: -103.102
where: short stacking energy: -62.310
Base-Backbone interact. energy: -0.404
local terms energy: -71.745208
where:
bonds (distance) C4'-P energy: -11.296
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -18.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -109.551854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.551854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.551854 (E_RNA)
where:
Base-Base interactions energy: -45.028
where: short stacking energy: -36.215
Base-Backbone interact. energy: -0.152
local terms energy: -64.371989
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -117.482734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.482734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.482734 (E_RNA)
where:
Base-Base interactions energy: -50.957
where: short stacking energy: -47.155
Base-Backbone interact. energy: -0.004
local terms energy: -66.522247
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -11.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -105.017533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.017533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.017533 (E_RNA)
where:
Base-Base interactions energy: -52.026
where: short stacking energy: -28.449
Base-Backbone interact. energy: -0.035
local terms energy: -52.956376
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -7.826
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: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -93.209848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.209848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.209848 (E_RNA)
where:
Base-Base interactions energy: -37.337
where: short stacking energy: -36.094
Base-Backbone interact. energy: -0.060
local terms energy: -55.813141
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -81.148732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.148732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.148732 (E_RNA)
where:
Base-Base interactions energy: -31.026
where: short stacking energy: -29.931
Base-Backbone interact. energy: -0.381
local terms energy: -49.741527
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -9.630
flat angles P-C4'-P energy: -6.518
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: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -88.567814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.567814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.567814 (E_RNA)
where:
Base-Base interactions energy: -40.429
where: short stacking energy: -34.395
Base-Backbone interact. energy: -0.239
local terms energy: -47.899562
where:
bonds (distance) C4'-P energy: -12.453
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -3.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -73.327482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.327482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.327482 (E_RNA)
where:
Base-Base interactions energy: -24.767
where: short stacking energy: -23.493
Base-Backbone interact. energy: -0.130
local terms energy: -48.430882
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -7.768
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -177.192625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.192625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.192625 (E_RNA)
where:
Base-Base interactions energy: -109.498
where: short stacking energy: -47.735
Base-Backbone interact. energy: -0.086
local terms energy: -67.608636
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -11.697
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: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -177.601620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.601620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.601620 (E_RNA)
where:
Base-Base interactions energy: -95.370
where: short stacking energy: -64.604
Base-Backbone interact. energy: -1.541
local terms energy: -80.690631
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -13.230
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -21.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -173.981787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.981787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.981787 (E_RNA)
where:
Base-Base interactions energy: -115.105
where: short stacking energy: -43.505
Base-Backbone interact. energy: 0.001
local terms energy: -58.877225
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -11.072
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: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -123.396416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.396416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.396416 (E_RNA)
where:
Base-Base interactions energy: -57.400
where: short stacking energy: -57.400
Base-Backbone interact. energy: -0.088
local terms energy: -65.908827
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -100.450163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.450163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.450163 (E_RNA)
where:
Base-Base interactions energy: -37.762
where: short stacking energy: -33.861
Base-Backbone interact. energy: -0.017
local terms energy: -62.671563
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -5.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -96.941787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.941787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.941787 (E_RNA)
where:
Base-Base interactions energy: -38.142
where: short stacking energy: -29.059
Base-Backbone interact. energy: -0.132
local terms energy: -58.667560
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -90.183994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.183994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.183994 (E_RNA)
where:
Base-Base interactions energy: -34.689
where: short stacking energy: -31.323
Base-Backbone interact. energy: -0.055
local terms energy: -55.439869
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -5.799
tors. eta vs tors. theta energy: -4.838
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: 8, replica: 5
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -81.491144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.491144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.491144 (E_RNA)
where:
Base-Base interactions energy: -37.221
where: short stacking energy: -16.574
Base-Backbone interact. energy: 0.410
local terms energy: -44.679452
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -9.938
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -79.373794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.373794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.373794 (E_RNA)
where:
Base-Base interactions energy: -28.578
where: short stacking energy: -22.215
Base-Backbone interact. energy: -0.047
local terms energy: -50.748713
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -93.164576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.164576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.164576 (E_RNA)
where:
Base-Base interactions energy: -37.209
where: short stacking energy: -27.099
Base-Backbone interact. energy: 0.599
local terms energy: -56.554491
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -6.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -184.963538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.963538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.963538 (E_RNA)
where:
Base-Base interactions energy: -114.863
where: short stacking energy: -60.620
Base-Backbone interact. energy: -0.000
local terms energy: -70.099916
where:
bonds (distance) C4'-P energy: -11.430
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -17.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -173.102614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.102614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.102614 (E_RNA)
where:
Base-Base interactions energy: -96.451
where: short stacking energy: -60.985
Base-Backbone interact. energy: -0.002
local terms energy: -76.649929
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -166.104463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.104463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.104463 (E_RNA)
where:
Base-Base interactions energy: -102.082
where: short stacking energy: -46.202
Base-Backbone interact. energy: 1.155
local terms energy: -65.177288
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -109.527509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.527509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.527509 (E_RNA)
where:
Base-Base interactions energy: -56.415
where: short stacking energy: -31.356
Base-Backbone interact. energy: 0.471
local terms energy: -53.583548
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -5.732
tors. eta vs tors. theta energy: -0.436
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: 10
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -103.335480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.335480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.335480 (E_RNA)
where:
Base-Base interactions energy: -46.054
where: short stacking energy: -43.356
Base-Backbone interact. energy: -0.005
local terms energy: -57.276085
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -10.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -103.698910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.698910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.698910 (E_RNA)
where:
Base-Base interactions energy: -46.983
where: short stacking energy: -40.450
Base-Backbone interact. energy: -0.050
local terms energy: -56.666581
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -8.231
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: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -93.842084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.842084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.842084 (E_RNA)
where:
Base-Base interactions energy: -50.970
where: short stacking energy: -20.637
Base-Backbone interact. energy: -0.817
local terms energy: -42.055274
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -10.935
flat angles C4'-P-C4' energy: -10.216
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: 4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -86.145117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.145117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.145117 (E_RNA)
where:
Base-Base interactions energy: -38.590
where: short stacking energy: -20.446
Base-Backbone interact. energy: -0.497
local terms energy: -47.057709
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -76.535695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.535695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.535695 (E_RNA)
where:
Base-Base interactions energy: -34.121
where: short stacking energy: -26.277
Base-Backbone interact. energy: -0.116
local terms energy: -42.298353
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -7.545
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -70.156563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.156563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.156563 (E_RNA)
where:
Base-Base interactions energy: -26.208
where: short stacking energy: -24.120
Base-Backbone interact. energy: -0.782
local terms energy: -43.167377
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -7.500
flat angles P-C4'-P energy: -4.263
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: 11
Temperature: 0.900000
Total energy: -174.666487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.666487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.666487 (E_RNA)
where:
Base-Base interactions energy: -104.012
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.004
local terms energy: -70.651166
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -17.408
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: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -181.512468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.512468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.512468 (E_RNA)
where:
Base-Base interactions energy: -116.127
where: short stacking energy: -64.880
Base-Backbone interact. energy: -0.229
local terms energy: -65.156709
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -18.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -161.052627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.052627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.052627 (E_RNA)
where:
Base-Base interactions energy: -97.098
where: short stacking energy: -40.744
Base-Backbone interact. energy: -0.158
local terms energy: -63.797053
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -12.048
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: 4, replica: 10
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -115.168850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.168850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.168850 (E_RNA)
where:
Base-Base interactions energy: -55.601
where: short stacking energy: -44.681
Base-Backbone interact. energy: 0.988
local terms energy: -60.555819
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -12.147
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: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -118.995167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.995167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.995167 (E_RNA)
where:
Base-Base interactions energy: -55.159
where: short stacking energy: -46.447
Base-Backbone interact. energy: -0.077
local terms energy: -63.758793
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -10.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -113.888700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.888700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.888700 (E_RNA)
where:
Base-Base interactions energy: -48.288
where: short stacking energy: -41.021
Base-Backbone interact. energy: -0.461
local terms energy: -65.139355
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -6.337
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: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -87.299818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.299818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.299818 (E_RNA)
where:
Base-Base interactions energy: -32.697
where: short stacking energy: -32.558
Base-Backbone interact. energy: -0.170
local terms energy: -54.432313
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -93.431559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.431559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.431559 (E_RNA)
where:
Base-Base interactions energy: -43.878
where: short stacking energy: -32.405
Base-Backbone interact. energy: -0.272
local terms energy: -49.281738
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -4.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -80.924942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.924942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.924942 (E_RNA)
where:
Base-Base interactions energy: -40.734
where: short stacking energy: -26.955
Base-Backbone interact. energy: 3.571
local terms energy: -43.762114
where:
bonds (distance) C4'-P energy: -6.017
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -83.354381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.354381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.354381 (E_RNA)
where:
Base-Base interactions energy: -33.550
where: short stacking energy: -21.679
Base-Backbone interact. energy: -0.456
local terms energy: -49.348662
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -10.600
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -187.081371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.081371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.081371 (E_RNA)
where:
Base-Base interactions energy: -110.594
where: short stacking energy: -68.755
Base-Backbone interact. energy: -0.001
local terms energy: -76.486430
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -9.245
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: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -165.581778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.581778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.581778 (E_RNA)
where:
Base-Base interactions energy: -94.726
where: short stacking energy: -52.678
Base-Backbone interact. energy: -0.096
local terms energy: -70.760641
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -14.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -174.328791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.328791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.328791 (E_RNA)
where:
Base-Base interactions energy: -107.665
where: short stacking energy: -52.594
Base-Backbone interact. energy: -0.977
local terms energy: -65.686942
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -9.140
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: 4, replica: 10
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -119.144798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.144798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.144798 (E_RNA)
where:
Base-Base interactions energy: -55.059
where: short stacking energy: -42.553
Base-Backbone interact. energy: -0.016
local terms energy: -64.069530
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -113.163810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.163810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.163810 (E_RNA)
where:
Base-Base interactions energy: -54.142
where: short stacking energy: -39.534
Base-Backbone interact. energy: -0.637
local terms energy: -58.384421
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -8.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -96.617977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.617977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.617977 (E_RNA)
where:
Base-Base interactions energy: -44.491
where: short stacking energy: -42.607
Base-Backbone interact. energy: -0.105
local terms energy: -52.021671
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: -8.403
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: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -96.040962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.040962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.040962 (E_RNA)
where:
Base-Base interactions energy: -42.988
where: short stacking energy: -32.398
Base-Backbone interact. energy: 1.542
local terms energy: -54.595242
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -3.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -87.582969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.582969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.582969 (E_RNA)
where:
Base-Base interactions energy: -41.578
where: short stacking energy: -27.524
Base-Backbone interact. energy: -0.220
local terms energy: -45.785239
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -9.390
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -5.657
tors. eta vs tors. theta energy: 0.260
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: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -78.172523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.172523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.172523 (E_RNA)
where:
Base-Base interactions energy: -31.251
where: short stacking energy: -29.119
Base-Backbone interact. energy: -0.010
local terms energy: -46.911714
where:
bonds (distance) C4'-P energy: -10.306
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -85.041813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.041813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.041813 (E_RNA)
where:
Base-Base interactions energy: -31.328
where: short stacking energy: -22.530
Base-Backbone interact. energy: -0.012
local terms energy: -53.702312
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -167.679159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.679159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.679159 (E_RNA)
where:
Base-Base interactions energy: -90.730
where: short stacking energy: -54.725
Base-Backbone interact. energy: -0.011
local terms energy: -76.937868
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -10.940
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: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -169.341032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.341032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.341032 (E_RNA)
where:
Base-Base interactions energy: -100.571
where: short stacking energy: -51.048
Base-Backbone interact. energy: -0.102
local terms energy: -68.668646
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -176.798019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.798019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.798019 (E_RNA)
where:
Base-Base interactions energy: -97.622
where: short stacking energy: -59.008
Base-Backbone interact. energy: -0.002
local terms energy: -79.173925
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -134.264997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.264997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.264997 (E_RNA)
where:
Base-Base interactions energy: -74.767
where: short stacking energy: -27.715
Base-Backbone interact. energy: -0.852
local terms energy: -58.646121
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -2.739
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: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -98.665920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.665920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.665920 (E_RNA)
where:
Base-Base interactions energy: -40.306
where: short stacking energy: -40.306
Base-Backbone interact. energy: -0.098
local terms energy: -58.262141
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -4.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -94.109663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.109663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.109663 (E_RNA)
where:
Base-Base interactions energy: -35.160
where: short stacking energy: -23.741
Base-Backbone interact. energy: -0.273
local terms energy: -58.676434
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.889
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -90.070385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.070385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.070385 (E_RNA)
where:
Base-Base interactions energy: -36.223
where: short stacking energy: -32.066
Base-Backbone interact. energy: -0.005
local terms energy: -53.842566
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -93.729253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.729253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.729253 (E_RNA)
where:
Base-Base interactions energy: -47.101
where: short stacking energy: -16.786
Base-Backbone interact. energy: -0.506
local terms energy: -46.121921
where:
bonds (distance) C4'-P energy: -9.870
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -10.459
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -82.015696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.015696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.015696 (E_RNA)
where:
Base-Base interactions energy: -30.742
where: short stacking energy: -26.187
Base-Backbone interact. energy: -0.247
local terms energy: -51.026724
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -9.875
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: 10, replica: 5
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -77.999953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.999953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.999953 (E_RNA)
where:
Base-Base interactions energy: -27.367
where: short stacking energy: -27.367
Base-Backbone interact. energy: -0.137
local terms energy: -50.496414
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -3.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -160.430760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.430760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.430760 (E_RNA)
where:
Base-Base interactions energy: -95.189
where: short stacking energy: -53.873
Base-Backbone interact. energy: -0.136
local terms energy: -65.105037
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -172.124832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.124832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.124832 (E_RNA)
where:
Base-Base interactions energy: -104.905
where: short stacking energy: -59.421
Base-Backbone interact. energy: -0.668
local terms energy: -66.551757
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -151.933894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.933894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.933894 (E_RNA)
where:
Base-Base interactions energy: -87.946
where: short stacking energy: -41.673
Base-Backbone interact. energy: -0.829
local terms energy: -63.158540
where:
bonds (distance) C4'-P energy: -8.767
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -12.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -132.017869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.017869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.017869 (E_RNA)
where:
Base-Base interactions energy: -75.623
where: short stacking energy: -34.848
Base-Backbone interact. energy: -0.231
local terms energy: -56.163732
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -8.912
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -99.335060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.335060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.335060 (E_RNA)
where:
Base-Base interactions energy: -46.151
where: short stacking energy: -34.991
Base-Backbone interact. energy: -0.259
local terms energy: -52.925798
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -6.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -92.947526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.947526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.947526 (E_RNA)
where:
Base-Base interactions energy: -39.323
where: short stacking energy: -36.976
Base-Backbone interact. energy: 0.037
local terms energy: -53.661401
where:
bonds (distance) C4'-P energy: -8.867
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -97.350857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.350857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.350857 (E_RNA)
where:
Base-Base interactions energy: -44.914
where: short stacking energy: -26.222
Base-Backbone interact. energy: -1.040
local terms energy: -51.396830
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -7.179
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -81.997163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.997163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.997163 (E_RNA)
where:
Base-Base interactions energy: -29.393
where: short stacking energy: -30.593
Base-Backbone interact. energy: 1.408
local terms energy: -54.012106
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -4.031
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: 9, replica: 5
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -76.255561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.255561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.255561 (E_RNA)
where:
Base-Base interactions energy: -31.813
where: short stacking energy: -31.813
Base-Backbone interact. energy: -0.009
local terms energy: -44.433874
where:
bonds (distance) C4'-P energy: -9.963
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -7.042
flat angles P-C4'-P energy: -9.201
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: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -78.084072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.084072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.084072 (E_RNA)
where:
Base-Base interactions energy: -23.563
where: short stacking energy: -23.563
Base-Backbone interact. energy: -0.205
local terms energy: -54.316594
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -7.492
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -8.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -169.898477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.898477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.898477 (E_RNA)
where:
Base-Base interactions energy: -96.927
where: short stacking energy: -46.255
Base-Backbone interact. energy: -0.121
local terms energy: -72.849957
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -11.618
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: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -158.508598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.508598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.508598 (E_RNA)
where:
Base-Base interactions energy: -92.150
where: short stacking energy: -55.181
Base-Backbone interact. energy: -0.004
local terms energy: -66.354394
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -11.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -163.476618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.476618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.476618 (E_RNA)
where:
Base-Base interactions energy: -104.378
where: short stacking energy: -44.488
Base-Backbone interact. energy: -0.781
local terms energy: -58.317560
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -6.284
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: 4, replica: 7
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -115.040059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.040059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.040059 (E_RNA)
where:
Base-Base interactions energy: -54.273
where: short stacking energy: -54.273
Base-Backbone interact. energy: -0.001
local terms energy: -60.766170
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -10.315
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -11.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -110.553479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.553479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.553479 (E_RNA)
where:
Base-Base interactions energy: -62.886
where: short stacking energy: -36.026
Base-Backbone interact. energy: -0.024
local terms energy: -47.642848
where:
bonds (distance) C4'-P energy: -8.617
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -91.857079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.857079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.857079 (E_RNA)
where:
Base-Base interactions energy: -46.948
where: short stacking energy: -34.856
Base-Backbone interact. energy: -0.239
local terms energy: -44.670086
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -4.622
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: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -90.015792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.015792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.015792 (E_RNA)
where:
Base-Base interactions energy: -32.374
where: short stacking energy: -29.432
Base-Backbone interact. energy: -0.391
local terms energy: -57.251017
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -81.855193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.855193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.855193 (E_RNA)
where:
Base-Base interactions energy: -36.292
where: short stacking energy: -18.720
Base-Backbone interact. energy: -0.086
local terms energy: -45.478053
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: 2.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -86.863598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.863598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.863598 (E_RNA)
where:
Base-Base interactions energy: -31.838
where: short stacking energy: -22.555
Base-Backbone interact. energy: -0.307
local terms energy: -54.718518
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -6.158
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: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -76.722482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.722482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.722482 (E_RNA)
where:
Base-Base interactions energy: -23.271
where: short stacking energy: -18.284
Base-Backbone interact. energy: 0.508
local terms energy: -53.959640
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -4.149
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -172.075547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.075547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.075547 (E_RNA)
where:
Base-Base interactions energy: -102.150
where: short stacking energy: -56.650
Base-Backbone interact. energy: -2.545
local terms energy: -67.379927
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -10.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -146.521949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.521949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.521949 (E_RNA)
where:
Base-Base interactions energy: -87.252
where: short stacking energy: -43.039
Base-Backbone interact. energy: -0.088
local terms energy: -59.181538
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -7.871
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: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -179.909588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.909588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.909588 (E_RNA)
where:
Base-Base interactions energy: -108.192
where: short stacking energy: -58.673
Base-Backbone interact. energy: -1.815
local terms energy: -69.902775
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -12.087
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -108.062952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.062952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.062952 (E_RNA)
where:
Base-Base interactions energy: -47.643
where: short stacking energy: -40.061
Base-Backbone interact. energy: -0.144
local terms energy: -60.275686
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -4.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -103.173473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.173473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.173473 (E_RNA)
where:
Base-Base interactions energy: -37.629
where: short stacking energy: -35.782
Base-Backbone interact. energy: -0.104
local terms energy: -65.439804
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -10.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -95.586755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.586755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.586755 (E_RNA)
where:
Base-Base interactions energy: -48.359
where: short stacking energy: -35.791
Base-Backbone interact. energy: -0.050
local terms energy: -47.177523
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -1.850
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: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -87.752697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.752697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.752697 (E_RNA)
where:
Base-Base interactions energy: -29.697
where: short stacking energy: -26.333
Base-Backbone interact. energy: 0.424
local terms energy: -58.480094
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -9.977
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: 8, replica: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -77.995802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.995802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.995802 (E_RNA)
where:
Base-Base interactions energy: -31.837
where: short stacking energy: -30.055
Base-Backbone interact. energy: -0.232
local terms energy: -45.927242
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -3.081
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: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -89.439539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.439539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.439539 (E_RNA)
where:
Base-Base interactions energy: -35.015
where: short stacking energy: -30.785
Base-Backbone interact. energy: -0.205
local terms energy: -54.218835
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -5.482
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -76.311379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.311379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.311379 (E_RNA)
where:
Base-Base interactions energy: -18.030
where: short stacking energy: -17.066
Base-Backbone interact. energy: -0.015
local terms energy: -58.267124
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -6.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -177.511303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.511303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.511303 (E_RNA)
where:
Base-Base interactions energy: -106.816
where: short stacking energy: -62.691
Base-Backbone interact. energy: -0.885
local terms energy: -69.810322
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -15.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -168.925530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.925530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.925530 (E_RNA)
where:
Base-Base interactions energy: -95.766
where: short stacking energy: -61.399
Base-Backbone interact. energy: -0.015
local terms energy: -73.144446
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -150.217316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.217316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.217316 (E_RNA)
where:
Base-Base interactions energy: -95.662
where: short stacking energy: -40.304
Base-Backbone interact. energy: -0.452
local terms energy: -54.103089
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -9.163
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -100.564601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.564601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.564601 (E_RNA)
where:
Base-Base interactions energy: -41.782
where: short stacking energy: -33.956
Base-Backbone interact. energy: -0.018
local terms energy: -58.764653
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -5.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -108.911421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.911421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.911421 (E_RNA)
where:
Base-Base interactions energy: -48.158
where: short stacking energy: -47.863
Base-Backbone interact. energy: -0.004
local terms energy: -60.749664
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -5.982
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -95.020274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.020274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.020274 (E_RNA)
where:
Base-Base interactions energy: -42.951
where: short stacking energy: -37.251
Base-Backbone interact. energy: -1.047
local terms energy: -51.021794
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -6.987
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: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -92.801459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.801459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.801459 (E_RNA)
where:
Base-Base interactions energy: -40.502
where: short stacking energy: -35.885
Base-Backbone interact. energy: -0.045
local terms energy: -52.255088
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -7.261
flat angles P-C4'-P energy: -9.284
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: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -84.731582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.731582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.731582 (E_RNA)
where:
Base-Base interactions energy: -38.181
where: short stacking energy: -32.716
Base-Backbone interact. energy: -0.267
local terms energy: -46.283886
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -3.024
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -78.787217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.787217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.787217 (E_RNA)
where:
Base-Base interactions energy: -30.832
where: short stacking energy: -26.913
Base-Backbone interact. energy: -0.122
local terms energy: -47.833160
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -7.990
flat angles P-C4'-P energy: -5.784
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: 10, replica: 8
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -79.240649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.240649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.240649 (E_RNA)
where:
Base-Base interactions energy: -25.500
where: short stacking energy: -25.542
Base-Backbone interact. energy: -0.306
local terms energy: -53.434745
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: 0.870
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: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -176.029616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.029616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.029616 (E_RNA)
where:
Base-Base interactions energy: -103.082
where: short stacking energy: -62.023
Base-Backbone interact. energy: -0.979
local terms energy: -71.968785
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -169.099773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.099773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.099773 (E_RNA)
where:
Base-Base interactions energy: -102.826
where: short stacking energy: -58.514
Base-Backbone interact. energy: -1.555
local terms energy: -64.718591
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: -16.507
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: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -107.153234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.153234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.153234 (E_RNA)
where:
Base-Base interactions energy: -43.523
where: short stacking energy: -36.593
Base-Backbone interact. energy: -0.177
local terms energy: -63.453078
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -7.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -151.251605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.251605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.251605 (E_RNA)
where:
Base-Base interactions energy: -95.903
where: short stacking energy: -44.477
Base-Backbone interact. energy: -0.571
local terms energy: -54.778359
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -8.471
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: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -102.804383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.804383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.804383 (E_RNA)
where:
Base-Base interactions energy: -45.610
where: short stacking energy: -45.610
Base-Backbone interact. energy: -0.003
local terms energy: -57.191143
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -7.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -103.868349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.868349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.868349 (E_RNA)
where:
Base-Base interactions energy: -47.228
where: short stacking energy: -44.378
Base-Backbone interact. energy: 0.036
local terms energy: -56.677049
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -8.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -90.825970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.825970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.825970 (E_RNA)
where:
Base-Base interactions energy: -43.927
where: short stacking energy: -15.647
Base-Backbone interact. energy: 0.252
local terms energy: -47.150581
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: 0.046
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: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -96.693758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.693758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.693758 (E_RNA)
where:
Base-Base interactions energy: -35.092
where: short stacking energy: -33.795
Base-Backbone interact. energy: -0.166
local terms energy: -61.436215
where:
bonds (distance) C4'-P energy: -7.258
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -11.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -95.678111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.678111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.678111 (E_RNA)
where:
Base-Base interactions energy: -45.705
where: short stacking energy: -31.018
Base-Backbone interact. energy: -0.048
local terms energy: -49.924853
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -71.029830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.029830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.029830 (E_RNA)
where:
Base-Base interactions energy: -24.732
where: short stacking energy: -24.732
Base-Backbone interact. energy: -0.106
local terms energy: -46.192025
where:
bonds (distance) C4'-P energy: -9.444
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -10.135
tors. eta vs tors. theta energy: -0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -178.316971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.316971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.316971 (E_RNA)
where:
Base-Base interactions energy: -102.541
where: short stacking energy: -62.034
Base-Backbone interact. energy: -0.709
local terms energy: -75.067673
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -13.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -129.694658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.694658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.694658 (E_RNA)
where:
Base-Base interactions energy: -61.102
where: short stacking energy: -44.656
Base-Backbone interact. energy: -0.090
local terms energy: -68.503012
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -167.034371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.034371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.034371 (E_RNA)
where:
Base-Base interactions energy: -98.765
where: short stacking energy: -48.332
Base-Backbone interact. energy: -0.638
local terms energy: -67.631706
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -13.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -106.745473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.745473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.745473 (E_RNA)
where:
Base-Base interactions energy: -41.600
where: short stacking energy: -41.600
Base-Backbone interact. energy: -0.098
local terms energy: -65.047782
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -10.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -171.737920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.737920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.737920 (E_RNA)
where:
Base-Base interactions energy: -106.346
where: short stacking energy: -49.962
Base-Backbone interact. energy: -1.908
local terms energy: -63.483897
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -8.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -104.092390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.092390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.092390 (E_RNA)
where:
Base-Base interactions energy: -49.033
where: short stacking energy: -42.807
Base-Backbone interact. energy: -0.212
local terms energy: -54.848107
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -4.669
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: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -97.305312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.305312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.305312 (E_RNA)
where:
Base-Base interactions energy: -36.971
where: short stacking energy: -36.971
Base-Backbone interact. energy: -0.002
local terms energy: -60.331824
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -86.577054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.577054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.577054 (E_RNA)
where:
Base-Base interactions energy: -35.209
where: short stacking energy: -34.741
Base-Backbone interact. energy: 0.264
local terms energy: -51.631989
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -11.225
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -4.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -82.639881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.639881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.639881 (E_RNA)
where:
Base-Base interactions energy: -35.226
where: short stacking energy: -24.258
Base-Backbone interact. energy: -0.021
local terms energy: -47.393285
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -3.906
tors. eta vs tors. theta energy: 2.055
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: 4
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -78.199009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.199009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.199009 (E_RNA)
where:
Base-Base interactions energy: -25.149
where: short stacking energy: -21.192
Base-Backbone interact. energy: -0.158
local terms energy: -52.891746
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -7.286
tors. eta vs tors. theta energy: 0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -187.163675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.163675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.163675 (E_RNA)
where:
Base-Base interactions energy: -106.335
where: short stacking energy: -66.490
Base-Backbone interact. energy: -1.369
local terms energy: -79.460241
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -11.543
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: 2, replica: 10
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -125.272015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.272015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.272015 (E_RNA)
where:
Base-Base interactions energy: -60.385
where: short stacking energy: -41.798
Base-Backbone interact. energy: -0.183
local terms energy: -64.703937
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -6.677
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: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -159.495853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.495853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.495853 (E_RNA)
where:
Base-Base interactions energy: -93.815
where: short stacking energy: -59.642
Base-Backbone interact. energy: -0.060
local terms energy: -65.620951
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -10.678
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -104.159602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.159602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.159602 (E_RNA)
where:
Base-Base interactions energy: -43.711
where: short stacking energy: -32.442
Base-Backbone interact. energy: -0.354
local terms energy: -60.094758
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -7.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -175.103401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.103401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.103401 (E_RNA)
where:
Base-Base interactions energy: -115.551
where: short stacking energy: -45.591
Base-Backbone interact. energy: -0.090
local terms energy: -59.462408
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -6.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -97.632663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.632663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.632663 (E_RNA)
where:
Base-Base interactions energy: -45.704
where: short stacking energy: -31.957
Base-Backbone interact. energy: -0.617
local terms energy: -51.311491
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -94.875364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.875364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.875364 (E_RNA)
where:
Base-Base interactions energy: -41.267
where: short stacking energy: -36.695
Base-Backbone interact. energy: -0.072
local terms energy: -53.535611
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -82.747294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.747294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.747294 (E_RNA)
where:
Base-Base interactions energy: -27.885
where: short stacking energy: -21.843
Base-Backbone interact. energy: -0.640
local terms energy: -54.223139
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -3.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -94.323116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.323116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.323116 (E_RNA)
where:
Base-Base interactions energy: -39.254
where: short stacking energy: -22.883
Base-Backbone interact. energy: -0.346
local terms energy: -54.723803
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -12.230
tors. eta vs tors. theta energy: 3.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -76.316959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.316959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.316959 (E_RNA)
where:
Base-Base interactions energy: -29.120
where: short stacking energy: -24.340
Base-Backbone interact. energy: 2.512
local terms energy: -49.709061
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -3.133
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: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -177.676101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.676101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.676101 (E_RNA)
where:
Base-Base interactions energy: -95.036
where: short stacking energy: -61.171
Base-Backbone interact. energy: -2.854
local terms energy: -79.785801
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -15.373
flat angles P-C4'-P energy: -11.406
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: 2, replica: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -177.707075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.707075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.707075 (E_RNA)
where:
Base-Base interactions energy: -99.368
where: short stacking energy: -53.650
Base-Backbone interact. energy: -0.906
local terms energy: -77.433372
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -106.217943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.217943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.217943 (E_RNA)
where:
Base-Base interactions energy: -48.655
where: short stacking energy: -38.482
Base-Backbone interact. energy: 0.799
local terms energy: -58.361414
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -7.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -185.114505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.114505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.114505 (E_RNA)
where:
Base-Base interactions energy: -113.785
where: short stacking energy: -66.359
Base-Backbone interact. energy: -0.555
local terms energy: -70.774228
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -19.253
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: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -98.540867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.540867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.540867 (E_RNA)
where:
Base-Base interactions energy: -31.467
where: short stacking energy: -30.115
Base-Backbone interact. energy: -0.330
local terms energy: -66.743663
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -6.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -87.840127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.840127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.840127 (E_RNA)
where:
Base-Base interactions energy: -39.282
where: short stacking energy: -21.385
Base-Backbone interact. energy: -0.859
local terms energy: -47.699395
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: 5.052
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: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -92.492885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.492885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.492885 (E_RNA)
where:
Base-Base interactions energy: -38.077
where: short stacking energy: -38.077
Base-Backbone interact. energy: -0.078
local terms energy: -54.337351
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -8.021
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -75.885343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.885343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.885343 (E_RNA)
where:
Base-Base interactions energy: -39.125
where: short stacking energy: -15.736
Base-Backbone interact. energy: -0.207
local terms energy: -36.553454
where:
bonds (distance) C4'-P energy: -6.890
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -7.753
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -0.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -80.840611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.840611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.840611 (E_RNA)
where:
Base-Base interactions energy: -30.668
where: short stacking energy: -23.764
Base-Backbone interact. energy: -0.731
local terms energy: -49.441389
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -3.166
tors. eta vs tors. theta energy: -4.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -70.619685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.619685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.619685 (E_RNA)
where:
Base-Base interactions energy: -25.229
where: short stacking energy: -18.832
Base-Backbone interact. energy: 0.808
local terms energy: -46.198379
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: 4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -175.522995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.522995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.522995 (E_RNA)
where:
Base-Base interactions energy: -102.284
where: short stacking energy: -60.290
Base-Backbone interact. energy: -0.001
local terms energy: -73.237712
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -158.133584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.133584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.133584 (E_RNA)
where:
Base-Base interactions energy: -93.027
where: short stacking energy: -52.073
Base-Backbone interact. energy: -1.233
local terms energy: -63.873310
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -12.411
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: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -191.556455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.556455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.556455 (E_RNA)
where:
Base-Base interactions energy: -115.244
where: short stacking energy: -57.313
Base-Backbone interact. energy: -1.794
local terms energy: -74.518667
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -15.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -147.495840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.495840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.495840 (E_RNA)
where:
Base-Base interactions energy: -78.112
where: short stacking energy: -49.893
Base-Backbone interact. energy: -0.133
local terms energy: -69.250000
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -89.215053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.215053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.215053 (E_RNA)
where:
Base-Base interactions energy: -34.487
where: short stacking energy: -31.401
Base-Backbone interact. energy: -0.269
local terms energy: -54.459173
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -94.142154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.142154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.142154 (E_RNA)
where:
Base-Base interactions energy: -32.614
where: short stacking energy: -29.534
Base-Backbone interact. energy: 0.062
local terms energy: -61.589980
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -11.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -88.015501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.015501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.015501 (E_RNA)
where:
Base-Base interactions energy: -35.164
where: short stacking energy: -35.164
Base-Backbone interact. energy: -0.043
local terms energy: -52.807988
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -11.374
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -81.108977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.108977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.108977 (E_RNA)
where:
Base-Base interactions energy: -28.608
where: short stacking energy: -24.209
Base-Backbone interact. energy: -0.322
local terms energy: -52.178313
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -6.541
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: 9, replica: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -79.308126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.308126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.308126 (E_RNA)
where:
Base-Base interactions energy: -28.353
where: short stacking energy: -26.899
Base-Backbone interact. energy: -0.237
local terms energy: -50.718220
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -1.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -77.416014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.416014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.416014 (E_RNA)
where:
Base-Base interactions energy: -31.161
where: short stacking energy: -31.446
Base-Backbone interact. energy: -0.165
local terms energy: -46.089783
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: 1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -168.587620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.587620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.587620 (E_RNA)
where:
Base-Base interactions energy: -88.552
where: short stacking energy: -61.289
Base-Backbone interact. energy: -3.331
local terms energy: -76.705169
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -199.001660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.001660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.001660 (E_RNA)
where:
Base-Base interactions energy: -124.527
where: short stacking energy: -62.270
Base-Backbone interact. energy: -0.002
local terms energy: -74.472777
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -14.355
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -9.211
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: 23
Temperature: 1.000000
Total energy: -160.180026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.180026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.180026 (E_RNA)
where:
Base-Base interactions energy: -94.039
where: short stacking energy: -55.524
Base-Backbone interact. energy: -0.152
local terms energy: -65.988597
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -16.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -149.900921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.900921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.900921 (E_RNA)
where:
Base-Base interactions energy: -75.853
where: short stacking energy: -48.516
Base-Backbone interact. energy: -0.023
local terms energy: -74.024858
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -12.627
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: 5, replica: 6
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -110.395550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.395550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.395550 (E_RNA)
where:
Base-Base interactions energy: -53.525
where: short stacking energy: -33.299
Base-Backbone interact. energy: -0.286
local terms energy: -56.584970
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -7.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -109.270453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.270453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.270453 (E_RNA)
where:
Base-Base interactions energy: -55.755
where: short stacking energy: -34.357
Base-Backbone interact. energy: -0.030
local terms energy: -53.485609
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -83.569437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.569437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.569437 (E_RNA)
where:
Base-Base interactions energy: -30.555
where: short stacking energy: -30.194
Base-Backbone interact. energy: -0.385
local terms energy: -52.628841
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -0.143
tors. eta vs tors. theta energy: -6.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -75.612575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.612575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.612575 (E_RNA)
where:
Base-Base interactions energy: -27.027
where: short stacking energy: -24.870
Base-Backbone interact. energy: -0.720
local terms energy: -47.865745
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: 0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -79.716760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.716760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.716760 (E_RNA)
where:
Base-Base interactions energy: -30.642
where: short stacking energy: -26.348
Base-Backbone interact. energy: -0.301
local terms energy: -48.773601
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -10.544
flat angles P-C4'-P energy: -6.871
tors. eta vs tors. theta energy: -1.982
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: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -65.656889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.656889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.656889 (E_RNA)
where:
Base-Base interactions energy: -27.249
where: short stacking energy: -27.249
Base-Backbone interact. energy: -0.289
local terms energy: -38.119216
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: 1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -197.472716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.472716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.472716 (E_RNA)
where:
Base-Base interactions energy: -125.915
where: short stacking energy: -68.477
Base-Backbone interact. energy: -0.438
local terms energy: -71.119208
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -13.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -158.600893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.600893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.600893 (E_RNA)
where:
Base-Base interactions energy: -96.108
where: short stacking energy: -62.383
Base-Backbone interact. energy: -0.082
local terms energy: -62.411551
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -15.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -159.325233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.325233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.325233 (E_RNA)
where:
Base-Base interactions energy: -89.751
where: short stacking energy: -56.355
Base-Backbone interact. energy: -0.135
local terms energy: -69.439469
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -16.181
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: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -144.749377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.749377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.749377 (E_RNA)
where:
Base-Base interactions energy: -82.004
where: short stacking energy: -45.187
Base-Backbone interact. energy: 2.628
local terms energy: -65.373129
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -9.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -120.039003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.039003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.039003 (E_RNA)
where:
Base-Base interactions energy: -53.164
where: short stacking energy: -41.723
Base-Backbone interact. energy: -0.862
local terms energy: -66.012897
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -10.718
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: 24
Temperature: 1.150000
Total energy: -107.346444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.346444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.346444 (E_RNA)
where:
Base-Base interactions energy: -43.756
where: short stacking energy: -40.185
Base-Backbone interact. energy: 1.533
local terms energy: -65.123031
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -9.060
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: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -95.386534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.386534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.386534 (E_RNA)
where:
Base-Base interactions energy: -43.711
where: short stacking energy: -27.620
Base-Backbone interact. energy: -0.328
local terms energy: -51.347498
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -10.734
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -79.294001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.294001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.294001 (E_RNA)
where:
Base-Base interactions energy: -25.159
where: short stacking energy: -25.159
Base-Backbone interact. energy: -0.096
local terms energy: -54.039549
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -81.906280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.906280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.906280 (E_RNA)
where:
Base-Base interactions energy: -32.700
where: short stacking energy: -21.856
Base-Backbone interact. energy: -0.104
local terms energy: -49.101843
where:
bonds (distance) C4'-P energy: -7.492
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -2.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -85.819813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.819813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.819813 (E_RNA)
where:
Base-Base interactions energy: -34.448
where: short stacking energy: -23.509
Base-Backbone interact. energy: -0.053
local terms energy: -51.319006
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -7.705
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -5.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -213.784919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.784919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.784919 (E_RNA)
where:
Base-Base interactions energy: -143.005
where: short stacking energy: -59.088
Base-Backbone interact. energy: -0.022
local terms energy: -70.757420
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -16.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -164.529217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.529217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.529217 (E_RNA)
where:
Base-Base interactions energy: -97.905
where: short stacking energy: -53.503
Base-Backbone interact. energy: -0.004
local terms energy: -66.620563
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -157.146993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.146993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.146993 (E_RNA)
where:
Base-Base interactions energy: -89.883
where: short stacking energy: -50.622
Base-Backbone interact. energy: -0.639
local terms energy: -66.625041
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -144.423363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.423363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.423363 (E_RNA)
where:
Base-Base interactions energy: -78.400
where: short stacking energy: -51.134
Base-Backbone interact. energy: -0.127
local terms energy: -65.896916
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -13.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -130.543013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.543013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.543013 (E_RNA)
where:
Base-Base interactions energy: -71.100
where: short stacking energy: -32.044
Base-Backbone interact. energy: -0.387
local terms energy: -59.056531
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -5.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -94.232942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.232942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.232942 (E_RNA)
where:
Base-Base interactions energy: -47.533
where: short stacking energy: -26.348
Base-Backbone interact. energy: -0.073
local terms energy: -46.627786
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: 0.715
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: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -94.459867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.459867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.459867 (E_RNA)
where:
Base-Base interactions energy: -50.833
where: short stacking energy: -42.754
Base-Backbone interact. energy: 0.736
local terms energy: -44.363671
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -5.814
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: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -80.113385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.113385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.113385 (E_RNA)
where:
Base-Base interactions energy: -31.922
where: short stacking energy: -26.958
Base-Backbone interact. energy: 3.013
local terms energy: -51.204609
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -7.048
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -7.139
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: 25
Temperature: 1.300000
Total energy: -83.296968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.296968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.296968 (E_RNA)
where:
Base-Base interactions energy: -25.278
where: short stacking energy: -23.830
Base-Backbone interact. energy: -0.092
local terms energy: -57.927758
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -69.979701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.979701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.979701 (E_RNA)
where:
Base-Base interactions energy: -26.266
where: short stacking energy: -22.387
Base-Backbone interact. energy: -0.254
local terms energy: -43.460059
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -9.200
flat angles P-C4'-P energy: -10.261
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: 26
Temperature: 0.900000
Total energy: -193.583735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.583735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.583735 (E_RNA)
where:
Base-Base interactions energy: -123.679
where: short stacking energy: -59.418
Base-Backbone interact. energy: -0.009
local terms energy: -69.896158
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -12.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -178.152880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.152880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.152880 (E_RNA)
where:
Base-Base interactions energy: -114.223
where: short stacking energy: -56.014
Base-Backbone interact. energy: -0.016
local terms energy: -63.913529
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -9.840
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: 3, replica: 1
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -156.316155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.316155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.316155 (E_RNA)
where:
Base-Base interactions energy: -82.936
where: short stacking energy: -43.331
Base-Backbone interact. energy: -0.195
local terms energy: -73.185342
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -8.697
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: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -147.650480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.650480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.650480 (E_RNA)
where:
Base-Base interactions energy: -83.103
where: short stacking energy: -55.871
Base-Backbone interact. energy: -0.168
local terms energy: -64.379317
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -12.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -137.871971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.871971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.871971 (E_RNA)
where:
Base-Base interactions energy: -73.697
where: short stacking energy: -38.240
Base-Backbone interact. energy: -0.150
local terms energy: -64.024881
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -10.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -103.159625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.159625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.159625 (E_RNA)
where:
Base-Base interactions energy: -50.243
where: short stacking energy: -29.009
Base-Backbone interact. energy: 2.900
local terms energy: -55.816289
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -7.801
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: 7, replica: 4
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -89.761298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.761298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.761298 (E_RNA)
where:
Base-Base interactions energy: -39.438
where: short stacking energy: -25.780
Base-Backbone interact. energy: -0.204
local terms energy: -50.119780
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -80.245721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.245721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.245721 (E_RNA)
where:
Base-Base interactions energy: -40.095
where: short stacking energy: -19.628
Base-Backbone interact. energy: -1.040
local terms energy: -39.111420
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -8.527
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: 1.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -73.846361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.846361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.846361 (E_RNA)
where:
Base-Base interactions energy: -30.040
where: short stacking energy: -23.568
Base-Backbone interact. energy: -0.371
local terms energy: -43.435144
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -11.703
flat angles P-C4'-P energy: -1.893
tors. eta vs tors. theta energy: 0.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -74.646744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.646744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.646744 (E_RNA)
where:
Base-Base interactions energy: -24.071
where: short stacking energy: -23.844
Base-Backbone interact. energy: -0.114
local terms energy: -50.461252
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -204.013115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.013115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.013115 (E_RNA)
where:
Base-Base interactions energy: -131.793
where: short stacking energy: -61.636
Base-Backbone interact. energy: -0.105
local terms energy: -72.115046
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -181.235965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.235965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.235965 (E_RNA)
where:
Base-Base interactions energy: -117.507
where: short stacking energy: -55.481
Base-Backbone interact. energy: -0.309
local terms energy: -63.419380
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -13.410
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: 1
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -151.655135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.655135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.655135 (E_RNA)
where:
Base-Base interactions energy: -79.423
where: short stacking energy: -50.009
Base-Backbone interact. energy: -0.712
local terms energy: -71.520072
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -175.701777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.701777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.701777 (E_RNA)
where:
Base-Base interactions energy: -107.723
where: short stacking energy: -54.550
Base-Backbone interact. energy: 0.138
local terms energy: -68.117083
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -10.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -142.661236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.661236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.661236 (E_RNA)
where:
Base-Base interactions energy: -87.802
where: short stacking energy: -36.956
Base-Backbone interact. energy: -0.605
local terms energy: -54.253682
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -2.663
tors. eta vs tors. theta energy: -9.429
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: 27
Temperature: 1.150000
Total energy: -92.583962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.583962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.583962 (E_RNA)
where:
Base-Base interactions energy: -37.065
where: short stacking energy: -35.368
Base-Backbone interact. energy: -0.056
local terms energy: -55.463370
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -10.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -91.480017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.480017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.480017 (E_RNA)
where:
Base-Base interactions energy: -34.867
where: short stacking energy: -34.867
Base-Backbone interact. energy: -0.118
local terms energy: -56.494928
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -10.196
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -3.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -85.624515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.624515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.624515 (E_RNA)
where:
Base-Base interactions energy: -36.452
where: short stacking energy: -23.073
Base-Backbone interact. energy: -0.476
local terms energy: -48.696751
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: 2.165
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: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -95.607214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.607214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.607214 (E_RNA)
where:
Base-Base interactions energy: -41.638
where: short stacking energy: -38.057
Base-Backbone interact. energy: -0.164
local terms energy: -53.805470
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -10.632
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: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -73.135883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.135883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.135883 (E_RNA)
where:
Base-Base interactions energy: -28.415
where: short stacking energy: -23.291
Base-Backbone interact. energy: -0.217
local terms energy: -44.503923
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -10.050
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: 0.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -198.137030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.137030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.137030 (E_RNA)
where:
Base-Base interactions energy: -129.073
where: short stacking energy: -51.240
Base-Backbone interact. energy: -0.692
local terms energy: -68.372086
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -195.962943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.962943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.962943 (E_RNA)
where:
Base-Base interactions energy: -119.897
where: short stacking energy: -69.280
Base-Backbone interact. energy: -0.068
local terms energy: -75.998140
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -182.500560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.500560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.500560 (E_RNA)
where:
Base-Base interactions energy: -119.355
where: short stacking energy: -47.863
Base-Backbone interact. energy: -0.018
local terms energy: -63.127842
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -4.563
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: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -153.979353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.979353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.979353 (E_RNA)
where:
Base-Base interactions energy: -84.021
where: short stacking energy: -60.503
Base-Backbone interact. energy: -0.056
local terms energy: -69.901835
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -14.875
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: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -156.914563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.914563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.914563 (E_RNA)
where:
Base-Base interactions energy: -84.959
where: short stacking energy: -48.918
Base-Backbone interact. energy: 0.110
local terms energy: -72.065444
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -13.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -99.258655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.258655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.258655 (E_RNA)
where:
Base-Base interactions energy: -41.237
where: short stacking energy: -26.842
Base-Backbone interact. energy: -0.421
local terms energy: -57.600117
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -3.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -81.652065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.652065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.652065 (E_RNA)
where:
Base-Base interactions energy: -29.757
where: short stacking energy: -26.876
Base-Backbone interact. energy: 0.243
local terms energy: -52.137826
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -86.288001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.288001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.288001 (E_RNA)
where:
Base-Base interactions energy: -45.904
where: short stacking energy: -36.994
Base-Backbone interact. energy: -0.179
local terms energy: -40.204574
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -8.971
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -5.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -80.678620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.678620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.678620 (E_RNA)
where:
Base-Base interactions energy: -26.362
where: short stacking energy: -26.335
Base-Backbone interact. energy: 0.171
local terms energy: -54.487959
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -5.652
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: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -69.920411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.920411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.920411 (E_RNA)
where:
Base-Base interactions energy: -21.700
where: short stacking energy: -17.734
Base-Backbone interact. energy: -1.037
local terms energy: -47.183224
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: 3.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -209.758860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.758860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.758860 (E_RNA)
where:
Base-Base interactions energy: -136.431
where: short stacking energy: -53.852
Base-Backbone interact. energy: -0.667
local terms energy: -72.660944
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -13.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -193.101732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.101732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.101732 (E_RNA)
where:
Base-Base interactions energy: -117.585
where: short stacking energy: -58.489
Base-Backbone interact. energy: -0.748
local terms energy: -74.768152
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -8.949
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: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -205.662057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.662057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.662057 (E_RNA)
where:
Base-Base interactions energy: -138.312
where: short stacking energy: -66.806
Base-Backbone interact. energy: -1.365
local terms energy: -65.984586
where:
bonds (distance) C4'-P energy: -10.055
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -7.914
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: 29
Temperature: 1.050000
Total energy: -150.851231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.851231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.851231 (E_RNA)
where:
Base-Base interactions energy: -88.153
where: short stacking energy: -51.144
Base-Backbone interact. energy: -0.027
local terms energy: -62.671429
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -151.737606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.737606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.737606 (E_RNA)
where:
Base-Base interactions energy: -90.517
where: short stacking energy: -59.927
Base-Backbone interact. energy: -0.019
local terms energy: -61.201747
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -10.505
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -5.525
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: 6, replica: 5
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -90.901791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.901791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.901791 (E_RNA)
where:
Base-Base interactions energy: -39.757
where: short stacking energy: -30.459
Base-Backbone interact. energy: 0.052
local terms energy: -51.196227
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -110.680248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.680248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.680248 (E_RNA)
where:
Base-Base interactions energy: -59.639
where: short stacking energy: -31.378
Base-Backbone interact. energy: 0.577
local terms energy: -51.618594
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -9.936
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: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -73.639012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.639012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.639012 (E_RNA)
where:
Base-Base interactions energy: -22.270
where: short stacking energy: -20.307
Base-Backbone interact. energy: -0.593
local terms energy: -50.775845
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: 0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -96.282442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.282442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.282442 (E_RNA)
where:
Base-Base interactions energy: -53.647
where: short stacking energy: -32.000
Base-Backbone interact. energy: -0.231
local terms energy: -42.404653
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -8.863
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -76.499571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.499571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.499571 (E_RNA)
where:
Base-Base interactions energy: -24.392
where: short stacking energy: -24.178
Base-Backbone interact. energy: -0.148
local terms energy: -51.958870
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -3.468
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -204.536177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.536177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.536177 (E_RNA)
where:
Base-Base interactions energy: -137.066
where: short stacking energy: -55.806
Base-Backbone interact. energy: -0.113
local terms energy: -67.356679
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -12.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -182.339678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.339678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.339678 (E_RNA)
where:
Base-Base interactions energy: -111.807
where: short stacking energy: -53.477
Base-Backbone interact. energy: -0.043
local terms energy: -70.489615
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -12.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -192.682484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.682484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.682484 (E_RNA)
where:
Base-Base interactions energy: -123.380
where: short stacking energy: -62.566
Base-Backbone interact. energy: -0.001
local terms energy: -69.301495
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -16.951
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: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -153.256299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.256299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.256299 (E_RNA)
where:
Base-Base interactions energy: -88.872
where: short stacking energy: -45.330
Base-Backbone interact. energy: -0.262
local terms energy: -64.122340
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -11.105
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: 5, replica: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -106.298358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.298358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.298358 (E_RNA)
where:
Base-Base interactions energy: -56.478
where: short stacking energy: -24.864
Base-Backbone interact. energy: -0.162
local terms energy: -49.658518
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -7.870
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -132.630432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.630432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.630432 (E_RNA)
where:
Base-Base interactions energy: -75.298
where: short stacking energy: -43.199
Base-Backbone interact. energy: -0.038
local terms energy: -57.293692
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -11.256
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -12.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -99.264836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.264836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.264836 (E_RNA)
where:
Base-Base interactions energy: -49.073
where: short stacking energy: -41.535
Base-Backbone interact. energy: 0.514
local terms energy: -50.705572
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -81.314105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.314105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.314105 (E_RNA)
where:
Base-Base interactions energy: -32.477
where: short stacking energy: -22.885
Base-Backbone interact. energy: -0.285
local terms energy: -48.552038
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -9.566
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: 0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -83.990946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.990946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.990946 (E_RNA)
where:
Base-Base interactions energy: -29.053
where: short stacking energy: -25.257
Base-Backbone interact. energy: -0.044
local terms energy: -54.894112
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -10.066
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: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -85.021263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.021263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.021263 (E_RNA)
where:
Base-Base interactions energy: -32.322
where: short stacking energy: -25.243
Base-Backbone interact. energy: -0.324
local terms energy: -52.375019
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -8.466
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -206.820603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.820603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.820603 (E_RNA)
where:
Base-Base interactions energy: -133.485
where: short stacking energy: -55.000
Base-Backbone interact. energy: -0.746
local terms energy: -72.589924
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -14.124
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: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -201.954489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.954489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.954489 (E_RNA)
where:
Base-Base interactions energy: -126.921
where: short stacking energy: -61.507
Base-Backbone interact. energy: -0.001
local terms energy: -75.032227
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -180.742747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.742747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.742747 (E_RNA)
where:
Base-Base interactions energy: -107.982
where: short stacking energy: -54.342
Base-Backbone interact. energy: -0.057
local terms energy: -72.703478
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -176.245402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.245402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.245402 (E_RNA)
where:
Base-Base interactions energy: -105.846
where: short stacking energy: -52.192
Base-Backbone interact. energy: -0.038
local terms energy: -70.361435
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -16.912
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: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -114.237042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.237042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.237042 (E_RNA)
where:
Base-Base interactions energy: -48.568
where: short stacking energy: -29.611
Base-Backbone interact. energy: -0.853
local terms energy: -64.816439
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -6.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -105.862601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.862601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.862601 (E_RNA)
where:
Base-Base interactions energy: -52.278
where: short stacking energy: -41.042
Base-Backbone interact. energy: -0.774
local terms energy: -52.810446
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -8.278
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: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -89.060831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.060831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.060831 (E_RNA)
where:
Base-Base interactions energy: -35.871
where: short stacking energy: -31.495
Base-Backbone interact. energy: -0.079
local terms energy: -53.110724
where:
bonds (distance) C4'-P energy: -9.078
bonds (distance) P-C4' energy: -13.285
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -10.284
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: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -75.733021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.733021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.733021 (E_RNA)
where:
Base-Base interactions energy: -25.722
where: short stacking energy: -23.581
Base-Backbone interact. energy: -0.475
local terms energy: -49.535748
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -1.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -71.245131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.245131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.245131 (E_RNA)
where:
Base-Base interactions energy: -25.368
where: short stacking energy: -25.368
Base-Backbone interact. energy: -0.164
local terms energy: -45.713164
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -8.043
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -78.311640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.311640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.311640 (E_RNA)
where:
Base-Base interactions energy: -27.738
where: short stacking energy: -26.255
Base-Backbone interact. energy: -0.875
local terms energy: -49.698381
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -1.761
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: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -209.295015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.295015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.295015 (E_RNA)
where:
Base-Base interactions energy: -136.892
where: short stacking energy: -58.159
Base-Backbone interact. energy: -0.060
local terms energy: -72.342946
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -11.552
tors. eta vs tors. theta energy: -14.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -188.254575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.254575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.254575 (E_RNA)
where:
Base-Base interactions energy: -117.985
where: short stacking energy: -56.996
Base-Backbone interact. energy: -0.127
local terms energy: -70.142946
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -13.640
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: 3, replica: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -189.653874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.653874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.653874 (E_RNA)
where:
Base-Base interactions energy: -115.472
where: short stacking energy: -64.676
Base-Backbone interact. energy: -0.003
local terms energy: -74.178990
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -21.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -178.804580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.804580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.804580 (E_RNA)
where:
Base-Base interactions energy: -108.744
where: short stacking energy: -52.352
Base-Backbone interact. energy: 1.808
local terms energy: -71.869125
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -17.196
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: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -115.689086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.689086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.689086 (E_RNA)
where:
Base-Base interactions energy: -54.741
where: short stacking energy: -42.566
Base-Backbone interact. energy: -0.281
local terms energy: -60.666438
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -10.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -102.978335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.978335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.978335 (E_RNA)
where:
Base-Base interactions energy: -47.153
where: short stacking energy: -33.160
Base-Backbone interact. energy: -0.197
local terms energy: -55.627943
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -7.021
tors. eta vs tors. theta energy: -6.063
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: 32
Temperature: 1.200000
Total energy: -94.706596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.706596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.706596 (E_RNA)
where:
Base-Base interactions energy: -48.045
where: short stacking energy: -33.225
Base-Backbone interact. energy: -0.158
local terms energy: -46.503505
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -10.799
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: 2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -86.228050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.228050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.228050 (E_RNA)
where:
Base-Base interactions energy: -37.849
where: short stacking energy: -25.607
Base-Backbone interact. energy: -1.247
local terms energy: -47.132372
where:
bonds (distance) C4'-P energy: -8.966
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -7.298
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: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -73.054997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.054997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.054997 (E_RNA)
where:
Base-Base interactions energy: -27.847
where: short stacking energy: -26.152
Base-Backbone interact. energy: -0.195
local terms energy: -45.012627
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -73.254698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.254698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.254698 (E_RNA)
where:
Base-Base interactions energy: -27.590
where: short stacking energy: -20.720
Base-Backbone interact. energy: -0.065
local terms energy: -45.599306
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -9.302
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -208.510062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.510062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.510062 (E_RNA)
where:
Base-Base interactions energy: -140.643
where: short stacking energy: -54.966
Base-Backbone interact. energy: -0.738
local terms energy: -67.129213
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -17.426
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: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -181.190216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.190216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.190216 (E_RNA)
where:
Base-Base interactions energy: -117.400
where: short stacking energy: -58.192
Base-Backbone interact. energy: -0.074
local terms energy: -63.715653
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -13.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -188.075637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.075637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.075637 (E_RNA)
where:
Base-Base interactions energy: -121.466
where: short stacking energy: -60.806
Base-Backbone interact. energy: -0.053
local terms energy: -66.556642
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -9.677
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: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -176.254441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.254441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.254441 (E_RNA)
where:
Base-Base interactions energy: -110.608
where: short stacking energy: -53.309
Base-Backbone interact. energy: 1.410
local terms energy: -67.056385
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -13.475
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: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -113.486973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.486973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.486973 (E_RNA)
where:
Base-Base interactions energy: -50.029
where: short stacking energy: -45.888
Base-Backbone interact. energy: -0.479
local terms energy: -62.978353
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -10.300
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: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -100.567415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.567415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.567415 (E_RNA)
where:
Base-Base interactions energy: -38.633
where: short stacking energy: -37.206
Base-Backbone interact. energy: -0.109
local terms energy: -61.825921
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -12.821
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -11.785
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: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -87.730945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.730945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.730945 (E_RNA)
where:
Base-Base interactions energy: -38.658
where: short stacking energy: -38.658
Base-Backbone interact. energy: -0.002
local terms energy: -49.071384
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: -6.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -78.287575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.287575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.287575 (E_RNA)
where:
Base-Base interactions energy: -32.981
where: short stacking energy: -32.981
Base-Backbone interact. energy: -0.125
local terms energy: -45.181509
where:
bonds (distance) C4'-P energy: -7.860
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -10.203
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: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -72.112413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.112413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.112413 (E_RNA)
where:
Base-Base interactions energy: -31.949
where: short stacking energy: -28.432
Base-Backbone interact. energy: -0.427
local terms energy: -39.736402
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -10.206
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -4.469
tors. eta vs tors. theta energy: -4.927
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: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -70.909742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.909742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.909742 (E_RNA)
where:
Base-Base interactions energy: -22.330
where: short stacking energy: -22.830
Base-Backbone interact. energy: -0.353
local terms energy: -48.226821
where:
bonds (distance) C4'-P energy: -11.896
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -10.107
flat angles P-C4'-P energy: -8.660
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: 1, replica: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -206.476114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.476114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.476114 (E_RNA)
where:
Base-Base interactions energy: -141.362
where: short stacking energy: -59.080
Base-Backbone interact. energy: -0.310
local terms energy: -64.803929
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -14.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -185.845035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.845035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.845035 (E_RNA)
where:
Base-Base interactions energy: -112.326
where: short stacking energy: -55.682
Base-Backbone interact. energy: -0.011
local terms energy: -73.508607
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -10.104
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: 34
Temperature: 1.000000
Total energy: -186.536500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.536500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.536500 (E_RNA)
where:
Base-Base interactions energy: -122.626
where: short stacking energy: -50.945
Base-Backbone interact. energy: -0.003
local terms energy: -63.908245
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -12.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -177.114028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.114028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.114028 (E_RNA)
where:
Base-Base interactions energy: -109.759
where: short stacking energy: -57.302
Base-Backbone interact. energy: -0.205
local terms energy: -67.149574
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -11.376
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: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -138.915151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.915151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.915151 (E_RNA)
where:
Base-Base interactions energy: -77.220
where: short stacking energy: -52.209
Base-Backbone interact. energy: -0.044
local terms energy: -61.651007
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -10.808
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: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -130.501749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.501749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.501749 (E_RNA)
where:
Base-Base interactions energy: -72.385
where: short stacking energy: -32.245
Base-Backbone interact. energy: -0.255
local terms energy: -57.861712
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -12.143
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -99.794919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.794919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.794919 (E_RNA)
where:
Base-Base interactions energy: -39.250
where: short stacking energy: -31.713
Base-Backbone interact. energy: -0.605
local terms energy: -59.940568
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -75.367743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.367743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.367743 (E_RNA)
where:
Base-Base interactions energy: -23.399
where: short stacking energy: -23.399
Base-Backbone interact. energy: -0.140
local terms energy: -51.828412
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -7.614
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: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -77.661558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.661558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.661558 (E_RNA)
where:
Base-Base interactions energy: -27.776
where: short stacking energy: -25.404
Base-Backbone interact. energy: -0.878
local terms energy: -49.007077
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -10.685
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: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -80.316932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.316932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.316932 (E_RNA)
where:
Base-Base interactions energy: -26.024
where: short stacking energy: -26.024
Base-Backbone interact. energy: 0.229
local terms energy: -54.522411
where:
bonds (distance) C4'-P energy: -11.390
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -10.915
tors. eta vs tors. theta energy: -5.212
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: 1, replica: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -204.563162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.563162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.563162 (E_RNA)
where:
Base-Base interactions energy: -134.685
where: short stacking energy: -53.120
Base-Backbone interact. energy: -0.113
local terms energy: -69.764815
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -193.278928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.278928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.278928 (E_RNA)
where:
Base-Base interactions energy: -125.946
where: short stacking energy: -57.616
Base-Backbone interact. energy: -0.958
local terms energy: -66.374825
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -13.365
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: 8
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -185.466615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.466615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.466615 (E_RNA)
where:
Base-Base interactions energy: -113.645
where: short stacking energy: -58.838
Base-Backbone interact. energy: -0.040
local terms energy: -71.781131
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -17.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -183.778378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.778378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.778378 (E_RNA)
where:
Base-Base interactions energy: -108.605
where: short stacking energy: -50.081
Base-Backbone interact. energy: -0.135
local terms energy: -75.039090
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -11.492
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: 5, replica: 7
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -147.249649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.249649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.249649 (E_RNA)
where:
Base-Base interactions energy: -74.816
where: short stacking energy: -46.125
Base-Backbone interact. energy: -2.129
local terms energy: -70.304773
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -110.410853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.410853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.410853 (E_RNA)
where:
Base-Base interactions energy: -64.187
where: short stacking energy: -30.784
Base-Backbone interact. energy: 1.749
local terms energy: -47.973263
where:
bonds (distance) C4'-P energy: -8.051
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -4.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -108.778561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.778561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.778561 (E_RNA)
where:
Base-Base interactions energy: -44.915
where: short stacking energy: -36.328
Base-Backbone interact. energy: -0.010
local terms energy: -63.853451
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -10.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -92.546128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.546128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.546128 (E_RNA)
where:
Base-Base interactions energy: -36.755
where: short stacking energy: -33.145
Base-Backbone interact. energy: -0.003
local terms energy: -55.787771
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -9.156
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: 9, replica: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -89.032747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.032747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.032747 (E_RNA)
where:
Base-Base interactions energy: -42.276
where: short stacking energy: -24.069
Base-Backbone interact. energy: -0.022
local terms energy: -46.734749
where:
bonds (distance) C4'-P energy: -11.819
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -7.535
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: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -79.302050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.302050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.302050 (E_RNA)
where:
Base-Base interactions energy: -24.956
where: short stacking energy: -23.265
Base-Backbone interact. energy: -0.003
local terms energy: -54.343463
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -205.786924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.786924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.786924 (E_RNA)
where:
Base-Base interactions energy: -124.292
where: short stacking energy: -66.000
Base-Backbone interact. energy: -2.586
local terms energy: -78.909428
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -15.292
flat angles P-C4'-P energy: -11.276
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: 10
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -209.457457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.457457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.457457 (E_RNA)
where:
Base-Base interactions energy: -134.920
where: short stacking energy: -61.935
Base-Backbone interact. energy: -0.094
local terms energy: -74.443662
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -13.223
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: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -180.100777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.100777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.100777 (E_RNA)
where:
Base-Base interactions energy: -110.497
where: short stacking energy: -51.961
Base-Backbone interact. energy: -0.887
local terms energy: -68.716822
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -178.817720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.817720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.817720 (E_RNA)
where:
Base-Base interactions energy: -115.144
where: short stacking energy: -47.853
Base-Backbone interact. energy: -0.614
local terms energy: -63.060419
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -11.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -133.386364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.386364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.386364 (E_RNA)
where:
Base-Base interactions energy: -75.077
where: short stacking energy: -27.917
Base-Backbone interact. energy: -0.375
local terms energy: -57.934459
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -120.412294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.412294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.412294 (E_RNA)
where:
Base-Base interactions energy: -52.308
where: short stacking energy: -37.059
Base-Backbone interact. energy: -0.857
local terms energy: -67.247541
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -9.874
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: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -89.938121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.938121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.938121 (E_RNA)
where:
Base-Base interactions energy: -35.777
where: short stacking energy: -16.279
Base-Backbone interact. energy: -0.689
local terms energy: -53.472459
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: 2.151
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: 8, replica: 6
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -104.594993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.594993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.594993 (E_RNA)
where:
Base-Base interactions energy: -49.020
where: short stacking energy: -26.914
Base-Backbone interact. energy: -0.249
local terms energy: -55.326363
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -80.096864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.096864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.096864 (E_RNA)
where:
Base-Base interactions energy: -30.021
where: short stacking energy: -20.558
Base-Backbone interact. energy: -0.097
local terms energy: -49.978790
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -4.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -72.350334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.350334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.350334 (E_RNA)
where:
Base-Base interactions energy: -30.338
where: short stacking energy: -26.920
Base-Backbone interact. energy: 0.351
local terms energy: -42.362720
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -8.549
flat angles P-C4'-P energy: -6.785
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: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -213.144655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.144655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.144655 (E_RNA)
where:
Base-Base interactions energy: -132.437
where: short stacking energy: -65.874
Base-Backbone interact. energy: -2.844
local terms energy: -77.863651
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -20.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -202.091266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.091266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.091266 (E_RNA)
where:
Base-Base interactions energy: -130.669
where: short stacking energy: -53.177
Base-Backbone interact. energy: -0.301
local terms energy: -71.121869
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -189.995364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.995364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.995364 (E_RNA)
where:
Base-Base interactions energy: -120.808
where: short stacking energy: -52.453
Base-Backbone interact. energy: -0.081
local terms energy: -69.106570
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -176.013106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.013106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.013106 (E_RNA)
where:
Base-Base interactions energy: -110.854
where: short stacking energy: -52.271
Base-Backbone interact. energy: -0.909
local terms energy: -64.250781
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -14.282
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: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -159.155455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.155455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.155455 (E_RNA)
where:
Base-Base interactions energy: -94.321
where: short stacking energy: -49.191
Base-Backbone interact. energy: -0.008
local terms energy: -64.827000
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -13.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -93.454397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.454397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.454397 (E_RNA)
where:
Base-Base interactions energy: -33.026
where: short stacking energy: -31.686
Base-Backbone interact. energy: -0.143
local terms energy: -60.285092
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -10.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -87.174213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.174213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.174213 (E_RNA)
where:
Base-Base interactions energy: -38.920
where: short stacking energy: -36.553
Base-Backbone interact. energy: -0.799
local terms energy: -47.455340
where:
bonds (distance) C4'-P energy: -8.931
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -9.659
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -5.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -94.035398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.035398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.035398 (E_RNA)
where:
Base-Base interactions energy: -45.223
where: short stacking energy: -43.902
Base-Backbone interact. energy: -0.209
local terms energy: -48.603609
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -11.307
flat angles C4'-P-C4' energy: -8.256
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -12.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -83.960351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.960351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.960351 (E_RNA)
where:
Base-Base interactions energy: -37.254
where: short stacking energy: -25.063
Base-Backbone interact. energy: -0.252
local terms energy: -46.454134
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -9.745
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -65.545335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.545335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.545335 (E_RNA)
where:
Base-Base interactions energy: -16.129
where: short stacking energy: -16.759
Base-Backbone interact. energy: -0.160
local terms energy: -49.255740
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: 1.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -210.503284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.503284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.503284 (E_RNA)
where:
Base-Base interactions energy: -133.318
where: short stacking energy: -61.592
Base-Backbone interact. energy: -0.278
local terms energy: -76.907204
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -12.028
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -197.104064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.104064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.104064 (E_RNA)
where:
Base-Base interactions energy: -130.970
where: short stacking energy: -48.835
Base-Backbone interact. energy: -0.871
local terms energy: -65.263541
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -12.540
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: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -181.520340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.520340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.520340 (E_RNA)
where:
Base-Base interactions energy: -120.674
where: short stacking energy: -56.427
Base-Backbone interact. energy: -0.177
local terms energy: -60.669340
where:
bonds (distance) C4'-P energy: -8.559
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -13.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -177.520906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.520906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.520906 (E_RNA)
where:
Base-Base interactions energy: -114.033
where: short stacking energy: -52.699
Base-Backbone interact. energy: -0.007
local terms energy: -63.480553
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -13.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -169.310495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.310495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.310495 (E_RNA)
where:
Base-Base interactions energy: -104.391
where: short stacking energy: -52.701
Base-Backbone interact. energy: -0.261
local terms energy: -64.658102
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -100.416220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.416220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.416220 (E_RNA)
where:
Base-Base interactions energy: -38.944
where: short stacking energy: -34.325
Base-Backbone interact. energy: -0.465
local terms energy: -61.007337
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -9.702
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -11.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -101.689597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.689597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.689597 (E_RNA)
where:
Base-Base interactions energy: -45.825
where: short stacking energy: -37.007
Base-Backbone interact. energy: -0.167
local terms energy: -55.697553
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -7.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -87.383128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.383128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.383128 (E_RNA)
where:
Base-Base interactions energy: -34.656
where: short stacking energy: -31.359
Base-Backbone interact. energy: 1.865
local terms energy: -54.592726
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -0.010
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: 9, replica: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -83.079379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.079379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.079379 (E_RNA)
where:
Base-Base interactions energy: -38.741
where: short stacking energy: -22.120
Base-Backbone interact. energy: -0.925
local terms energy: -43.413188
where:
bonds (distance) C4'-P energy: -6.576
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -9.562
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -77.035126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.035126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.035126 (E_RNA)
where:
Base-Base interactions energy: -37.243
where: short stacking energy: -27.169
Base-Backbone interact. energy: 0.116
local terms energy: -39.907516
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -9.617
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -3.362
tors. eta vs tors. theta energy: -4.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -213.016405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.016405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.016405 (E_RNA)
where:
Base-Base interactions energy: -136.003
where: short stacking energy: -57.414
Base-Backbone interact. energy: -0.725
local terms energy: -76.288380
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -16.036
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: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -185.334928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.334928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.334928 (E_RNA)
where:
Base-Base interactions energy: -114.190
where: short stacking energy: -50.919
Base-Backbone interact. energy: -0.382
local terms energy: -70.762873
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -13.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -200.823521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.823521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.823521 (E_RNA)
where:
Base-Base interactions energy: -132.696
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.634
local terms energy: -67.493804
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -6.551
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: 4, replica: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -183.774225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.774225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.774225 (E_RNA)
where:
Base-Base interactions energy: -111.019
where: short stacking energy: -57.313
Base-Backbone interact. energy: -0.014
local terms energy: -72.741232
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -7.724
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -172.930674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.930674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.930674 (E_RNA)
where:
Base-Base interactions energy: -105.478
where: short stacking energy: -41.135
Base-Backbone interact. energy: -1.396
local terms energy: -66.056416
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -92.583018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.583018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.583018 (E_RNA)
where:
Base-Base interactions energy: -40.141
where: short stacking energy: -29.279
Base-Backbone interact. energy: 0.458
local terms energy: -52.900705
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -10.583
flat angles P-C4'-P energy: -4.651
tors. eta vs tors. theta energy: -9.239
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: 4
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -86.445019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.445019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.445019 (E_RNA)
where:
Base-Base interactions energy: -33.075
where: short stacking energy: -31.296
Base-Backbone interact. energy: -0.116
local terms energy: -53.254448
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -2.954
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: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -86.615706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.615706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.615706 (E_RNA)
where:
Base-Base interactions energy: -28.132
where: short stacking energy: -28.132
Base-Backbone interact. energy: -0.055
local terms energy: -58.428750
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -7.910
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: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -80.391285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.391285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.391285 (E_RNA)
where:
Base-Base interactions energy: -36.216
where: short stacking energy: -32.436
Base-Backbone interact. energy: -0.143
local terms energy: -44.032229
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -3.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -75.272075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.272075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.272075 (E_RNA)
where:
Base-Base interactions energy: -22.536
where: short stacking energy: -22.536
Base-Backbone interact. energy: -0.151
local terms energy: -52.584826
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -7.173
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: 3
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -210.843869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.843869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.843869 (E_RNA)
where:
Base-Base interactions energy: -138.966
where: short stacking energy: -66.777
Base-Backbone interact. energy: -1.483
local terms energy: -70.394833
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -20.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -184.978414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.978414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.978414 (E_RNA)
where:
Base-Base interactions energy: -111.084
where: short stacking energy: -57.329
Base-Backbone interact. energy: -0.182
local terms energy: -73.712146
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -188.280337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.280337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.280337 (E_RNA)
where:
Base-Base interactions energy: -115.915
where: short stacking energy: -57.369
Base-Backbone interact. energy: -0.024
local terms energy: -72.341332
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -181.425304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.425304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.425304 (E_RNA)
where:
Base-Base interactions energy: -110.038
where: short stacking energy: -58.375
Base-Backbone interact. energy: 0.380
local terms energy: -71.767571
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -15.204
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: 1
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -158.704548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.704548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.704548 (E_RNA)
where:
Base-Base interactions energy: -93.847
where: short stacking energy: -35.714
Base-Backbone interact. energy: -0.324
local terms energy: -64.533363
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -9.455
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: 6, replica: 9
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -98.853509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.853509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.853509 (E_RNA)
where:
Base-Base interactions energy: -45.400
where: short stacking energy: -36.636
Base-Backbone interact. energy: -0.179
local terms energy: -53.274482
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -16.260
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -82.307743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.307743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.307743 (E_RNA)
where:
Base-Base interactions energy: -30.625
where: short stacking energy: -25.387
Base-Backbone interact. energy: -0.229
local terms energy: -51.454129
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -5.911
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: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -83.551829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.551829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.551829 (E_RNA)
where:
Base-Base interactions energy: -29.983
where: short stacking energy: -27.822
Base-Backbone interact. energy: -0.010
local terms energy: -53.559353
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -4.485
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: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -81.526536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.526536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.526536 (E_RNA)
where:
Base-Base interactions energy: -29.044
where: short stacking energy: -29.044
Base-Backbone interact. energy: -0.856
local terms energy: -51.626828
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -9.006
flat angles P-C4'-P energy: -8.737
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: 10, replica: 7
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -75.242024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.242024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.242024 (E_RNA)
where:
Base-Base interactions energy: -21.880
where: short stacking energy: -21.880
Base-Backbone interact. energy: -0.044
local terms energy: -53.317986
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -1.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -204.804137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.804137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.804137 (E_RNA)
where:
Base-Base interactions energy: -126.562
where: short stacking energy: -70.996
Base-Backbone interact. energy: -0.004
local terms energy: -78.238326
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -181.609433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.609433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.609433 (E_RNA)
where:
Base-Base interactions energy: -111.454
where: short stacking energy: -48.390
Base-Backbone interact. energy: -0.612
local terms energy: -69.543913
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -178.440490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.440490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.440490 (E_RNA)
where:
Base-Base interactions energy: -106.317
where: short stacking energy: -48.634
Base-Backbone interact. energy: -0.701
local terms energy: -71.422824
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -12.144
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: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -169.262294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.262294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.262294 (E_RNA)
where:
Base-Base interactions energy: -107.718
where: short stacking energy: -47.472
Base-Backbone interact. energy: -0.159
local terms energy: -61.385389
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -6.762
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -169.730236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.730236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.730236 (E_RNA)
where:
Base-Base interactions energy: -111.373
where: short stacking energy: -45.046
Base-Backbone interact. energy: -0.226
local terms energy: -58.131647
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -3.391
tors. eta vs tors. theta energy: -12.423
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: 41
Temperature: 1.150000
Total energy: -110.670957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.670957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.670957 (E_RNA)
where:
Base-Base interactions energy: -55.517
where: short stacking energy: -48.420
Base-Backbone interact. energy: -0.067
local terms energy: -55.087423
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -7.689
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -11.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -91.912944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.912944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.912944 (E_RNA)
where:
Base-Base interactions energy: -39.887
where: short stacking energy: -34.295
Base-Backbone interact. energy: -0.018
local terms energy: -52.008088
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -5.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -77.871710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.871710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.871710 (E_RNA)
where:
Base-Base interactions energy: -24.307
where: short stacking energy: -24.307
Base-Backbone interact. energy: -0.180
local terms energy: -53.384422
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -13.435
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: 4
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -82.746895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.746895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.746895 (E_RNA)
where:
Base-Base interactions energy: -32.587
where: short stacking energy: -28.286
Base-Backbone interact. energy: -0.125
local terms energy: -50.035435
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: 1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -74.261074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.261074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.261074 (E_RNA)
where:
Base-Base interactions energy: -21.835
where: short stacking energy: -21.835
Base-Backbone interact. energy: -0.100
local terms energy: -52.326302
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -1.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -205.686118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.686118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.686118 (E_RNA)
where:
Base-Base interactions energy: -131.052
where: short stacking energy: -66.967
Base-Backbone interact. energy: -0.001
local terms energy: -74.633419
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -24.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -200.143522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.143522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.143522 (E_RNA)
where:
Base-Base interactions energy: -129.109
where: short stacking energy: -62.123
Base-Backbone interact. energy: -0.056
local terms energy: -70.977747
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -18.888
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: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -170.270026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.270026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.270026 (E_RNA)
where:
Base-Base interactions energy: -95.009
where: short stacking energy: -54.827
Base-Backbone interact. energy: -0.045
local terms energy: -75.216163
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -17.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -179.793028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.793028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.793028 (E_RNA)
where:
Base-Base interactions energy: -116.373
where: short stacking energy: -48.951
Base-Backbone interact. energy: 0.255
local terms energy: -63.674803
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -168.943223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.943223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.943223 (E_RNA)
where:
Base-Base interactions energy: -98.402
where: short stacking energy: -52.528
Base-Backbone interact. energy: 0.792
local terms energy: -71.332432
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -95.073101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.073101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.073101 (E_RNA)
where:
Base-Base interactions energy: -48.631
where: short stacking energy: -42.109
Base-Backbone interact. energy: -0.279
local terms energy: -46.163338
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -6.934
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -3.521
tors. eta vs tors. theta energy: -7.764
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: 42
Temperature: 1.200000
Total energy: -90.188564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.188564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.188564 (E_RNA)
where:
Base-Base interactions energy: -40.305
where: short stacking energy: -26.013
Base-Backbone interact. energy: -0.709
local terms energy: -49.175261
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -6.863
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: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -83.115418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.115418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.115418 (E_RNA)
where:
Base-Base interactions energy: -37.290
where: short stacking energy: -36.991
Base-Backbone interact. energy: -0.064
local terms energy: -45.761258
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -9.315
flat angles P-C4'-P energy: -5.218
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -72.057460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.057460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.057460 (E_RNA)
where:
Base-Base interactions energy: -25.788
where: short stacking energy: -20.304
Base-Backbone interact. energy: -0.141
local terms energy: -46.129133
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -10.512
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -0.671
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: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -71.979873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.979873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.979873 (E_RNA)
where:
Base-Base interactions energy: -22.745
where: short stacking energy: -21.789
Base-Backbone interact. energy: 0.494
local terms energy: -49.728351
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: 0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -207.128354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.128354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.128354 (E_RNA)
where:
Base-Base interactions energy: -129.651
where: short stacking energy: -68.373
Base-Backbone interact. energy: -0.002
local terms energy: -77.474892
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -18.445
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: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -196.508900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.508900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.508900 (E_RNA)
where:
Base-Base interactions energy: -123.030
where: short stacking energy: -62.913
Base-Backbone interact. energy: -0.027
local terms energy: -73.452459
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -11.712
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: 3, replica: 1
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -175.960142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.960142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.960142 (E_RNA)
where:
Base-Base interactions energy: -109.643
where: short stacking energy: -53.260
Base-Backbone interact. energy: -0.027
local terms energy: -66.289527
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -196.272103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.272103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.272103 (E_RNA)
where:
Base-Base interactions energy: -122.906
where: short stacking energy: -55.691
Base-Backbone interact. energy: 1.505
local terms energy: -74.871911
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -135.923267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.923267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.923267 (E_RNA)
where:
Base-Base interactions energy: -73.910
where: short stacking energy: -47.531
Base-Backbone interact. energy: -0.001
local terms energy: -62.012397
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -85.635776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.635776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.635776 (E_RNA)
where:
Base-Base interactions energy: -30.833
where: short stacking energy: -29.466
Base-Backbone interact. energy: -0.118
local terms energy: -54.684828
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -100.380855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.380855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.380855 (E_RNA)
where:
Base-Base interactions energy: -43.968
where: short stacking energy: -41.323
Base-Backbone interact. energy: 3.268
local terms energy: -59.680475
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -3.798
tors. eta vs tors. theta energy: -9.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -87.747979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.747979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.747979 (E_RNA)
where:
Base-Base interactions energy: -35.695
where: short stacking energy: -24.315
Base-Backbone interact. energy: -0.030
local terms energy: -52.023820
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -9.682
flat angles P-C4'-P energy: -6.109
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -79.065766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.065766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.065766 (E_RNA)
where:
Base-Base interactions energy: -26.998
where: short stacking energy: -26.417
Base-Backbone interact. energy: 0.394
local terms energy: -52.461737
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -78.162083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.162083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.162083 (E_RNA)
where:
Base-Base interactions energy: -35.472
where: short stacking energy: -34.626
Base-Backbone interact. energy: -0.034
local terms energy: -42.656106
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -7.705
flat angles P-C4'-P energy: -8.598
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: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -203.351583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.351583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.351583 (E_RNA)
where:
Base-Base interactions energy: -136.417
where: short stacking energy: -55.887
Base-Backbone interact. energy: -0.013
local terms energy: -66.921790
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -194.055129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.055129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.055129 (E_RNA)
where:
Base-Base interactions energy: -120.403
where: short stacking energy: -53.967
Base-Backbone interact. energy: -1.283
local terms energy: -72.368224
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -188.013785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.013785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.013785 (E_RNA)
where:
Base-Base interactions energy: -119.561
where: short stacking energy: -55.076
Base-Backbone interact. energy: -0.263
local terms energy: -68.189214
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -185.764781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.764781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.764781 (E_RNA)
where:
Base-Base interactions energy: -115.091
where: short stacking energy: -61.733
Base-Backbone interact. energy: -0.063
local terms energy: -70.610633
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -18.631
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: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -90.940995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.940995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.940995 (E_RNA)
where:
Base-Base interactions energy: -40.734
where: short stacking energy: -35.292
Base-Backbone interact. energy: -0.080
local terms energy: -50.127116
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -3.860
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: 6, replica: 10
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -114.833485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.833485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.833485 (E_RNA)
where:
Base-Base interactions energy: -56.105
where: short stacking energy: -23.547
Base-Backbone interact. energy: -0.062
local terms energy: -58.666998
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -8.874
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: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -82.703513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.703513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.703513 (E_RNA)
where:
Base-Base interactions energy: -25.116
where: short stacking energy: -24.918
Base-Backbone interact. energy: -0.049
local terms energy: -57.538557
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -83.773267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.773267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.773267 (E_RNA)
where:
Base-Base interactions energy: -37.468
where: short stacking energy: -37.468
Base-Backbone interact. energy: -0.593
local terms energy: -45.711779
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -81.370687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.370687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.370687 (E_RNA)
where:
Base-Base interactions energy: -33.746
where: short stacking energy: -33.016
Base-Backbone interact. energy: -0.000
local terms energy: -47.623912
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -5.919
flat angles P-C4'-P energy: -8.361
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: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -80.479024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.479024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.479024 (E_RNA)
where:
Base-Base interactions energy: -32.402
where: short stacking energy: -27.712
Base-Backbone interact. energy: -0.198
local terms energy: -47.879199
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: 0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -204.750716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.750716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.750716 (E_RNA)
where:
Base-Base interactions energy: -129.240
where: short stacking energy: -67.859
Base-Backbone interact. energy: -0.031
local terms energy: -75.479692
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -19.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -193.768438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.768438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.768438 (E_RNA)
where:
Base-Base interactions energy: -120.784
where: short stacking energy: -67.019
Base-Backbone interact. energy: -0.010
local terms energy: -72.973762
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -18.266
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: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -202.018625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.018625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.018625 (E_RNA)
where:
Base-Base interactions energy: -129.991
where: short stacking energy: -55.881
Base-Backbone interact. energy: -0.263
local terms energy: -71.765097
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -11.613
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: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -184.297298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.297298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.297298 (E_RNA)
where:
Base-Base interactions energy: -116.864
where: short stacking energy: -60.426
Base-Backbone interact. energy: -0.072
local terms energy: -67.361098
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -16.693
flat angles P-C4'-P energy: -6.053
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: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -98.091120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.091120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.091120 (E_RNA)
where:
Base-Base interactions energy: -39.590
where: short stacking energy: -38.153
Base-Backbone interact. energy: -0.075
local terms energy: -58.425997
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -10.946
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -9.336
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: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -103.960880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.960880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.960880 (E_RNA)
where:
Base-Base interactions energy: -44.967
where: short stacking energy: -44.280
Base-Backbone interact. energy: -0.010
local terms energy: -58.983923
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -9.063
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -11.013
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: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -90.335843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.335843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.335843 (E_RNA)
where:
Base-Base interactions energy: -31.962
where: short stacking energy: -31.962
Base-Backbone interact. energy: -0.250
local terms energy: -58.124406
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -82.111217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.111217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.111217 (E_RNA)
where:
Base-Base interactions energy: -22.816
where: short stacking energy: -19.886
Base-Backbone interact. energy: -0.354
local terms energy: -58.940765
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -90.835994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.835994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.835994 (E_RNA)
where:
Base-Base interactions energy: -37.795
where: short stacking energy: -26.750
Base-Backbone interact. energy: -0.921
local terms energy: -52.119116
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -1.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -75.718634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.718634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.718634 (E_RNA)
where:
Base-Base interactions energy: -21.044
where: short stacking energy: -15.157
Base-Backbone interact. energy: -0.184
local terms energy: -54.490825
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -197.068663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.068663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.068663 (E_RNA)
where:
Base-Base interactions energy: -126.883
where: short stacking energy: -58.033
Base-Backbone interact. energy: 0.247
local terms energy: -70.432275
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -16.168
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: 46
Temperature: 0.950000
Total energy: -191.850010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.850010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.850010 (E_RNA)
where:
Base-Base interactions energy: -118.159
where: short stacking energy: -62.609
Base-Backbone interact. energy: -0.066
local terms energy: -73.625172
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -15.434
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: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -199.341134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.341134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.341134 (E_RNA)
where:
Base-Base interactions energy: -128.757
where: short stacking energy: -54.683
Base-Backbone interact. energy: -0.088
local terms energy: -70.496697
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -8.420
tors. eta vs tors. theta energy: -16.532
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: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -185.275088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.275088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.275088 (E_RNA)
where:
Base-Base interactions energy: -116.372
where: short stacking energy: -62.078
Base-Backbone interact. energy: -0.242
local terms energy: -68.661713
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -9.814
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: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -105.074403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.074403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.074403 (E_RNA)
where:
Base-Base interactions energy: -39.683
where: short stacking energy: -31.001
Base-Backbone interact. energy: -0.286
local terms energy: -65.105334
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -93.824887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.824887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.824887 (E_RNA)
where:
Base-Base interactions energy: -33.462
where: short stacking energy: -32.736
Base-Backbone interact. energy: -0.020
local terms energy: -60.343255
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -8.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -93.084172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.084172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.084172 (E_RNA)
where:
Base-Base interactions energy: -40.420
where: short stacking energy: -28.678
Base-Backbone interact. energy: -0.237
local terms energy: -52.428038
where:
bonds (distance) C4'-P energy: -8.477
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -85.046309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.046309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.046309 (E_RNA)
where:
Base-Base interactions energy: -33.244
where: short stacking energy: -22.491
Base-Backbone interact. energy: -0.220
local terms energy: -51.581808
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: 0.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -81.150885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.150885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.150885 (E_RNA)
where:
Base-Base interactions energy: -29.225
where: short stacking energy: -23.480
Base-Backbone interact. energy: -0.117
local terms energy: -51.808578
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: 1.291
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: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -76.409253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.409253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.409253 (E_RNA)
where:
Base-Base interactions energy: -36.053
where: short stacking energy: -26.043
Base-Backbone interact. energy: -0.061
local terms energy: -40.295742
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -5.730
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: 0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -193.253111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.253111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.253111 (E_RNA)
where:
Base-Base interactions energy: -122.882
where: short stacking energy: -57.716
Base-Backbone interact. energy: -0.001
local terms energy: -70.369399
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -12.200
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: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -211.790370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.790370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.790370 (E_RNA)
where:
Base-Base interactions energy: -131.943
where: short stacking energy: -64.090
Base-Backbone interact. energy: -0.591
local terms energy: -79.256472
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -182.863723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.863723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.863723 (E_RNA)
where:
Base-Base interactions energy: -114.645
where: short stacking energy: -41.441
Base-Backbone interact. energy: -2.437
local terms energy: -65.781571
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -185.036319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.036319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.036319 (E_RNA)
where:
Base-Base interactions energy: -121.714
where: short stacking energy: -54.400
Base-Backbone interact. energy: 0.176
local terms energy: -63.498541
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -10.599
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: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -110.096164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.096164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.096164 (E_RNA)
where:
Base-Base interactions energy: -43.134
where: short stacking energy: -43.134
Base-Backbone interact. energy: -0.120
local terms energy: -66.842289
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -13.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -96.584799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.584799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.584799 (E_RNA)
where:
Base-Base interactions energy: -39.710
where: short stacking energy: -39.601
Base-Backbone interact. energy: -0.033
local terms energy: -56.842005
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -7.371
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: 7, replica: 6
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -100.872952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.872952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.872952 (E_RNA)
where:
Base-Base interactions energy: -37.746
where: short stacking energy: -35.245
Base-Backbone interact. energy: -0.074
local terms energy: -63.053748
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -8.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -93.730312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.730312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.730312 (E_RNA)
where:
Base-Base interactions energy: -34.691
where: short stacking energy: -29.318
Base-Backbone interact. energy: -0.328
local terms energy: -58.710933
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -8.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -82.666896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.666896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.666896 (E_RNA)
where:
Base-Base interactions energy: -40.901
where: short stacking energy: -20.965
Base-Backbone interact. energy: -0.145
local terms energy: -41.620106
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -10.663
flat angles P-C4'-P energy: -9.129
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: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -71.970291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.970291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.970291 (E_RNA)
where:
Base-Base interactions energy: -35.451
where: short stacking energy: -21.730
Base-Backbone interact. energy: -0.125
local terms energy: -36.394702
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -9.937
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -3.337
tors. eta vs tors. theta energy: 3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -200.134221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.134221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.134221 (E_RNA)
where:
Base-Base interactions energy: -128.899
where: short stacking energy: -67.630
Base-Backbone interact. energy: -0.010
local terms energy: -71.224773
where:
bonds (distance) C4'-P energy: -9.650
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -206.878183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.878183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.878183 (E_RNA)
where:
Base-Base interactions energy: -129.368
where: short stacking energy: -60.572
Base-Backbone interact. energy: -0.047
local terms energy: -77.463346
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -12.564
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: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -164.735407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.735407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.735407 (E_RNA)
where:
Base-Base interactions energy: -104.927
where: short stacking energy: -50.030
Base-Backbone interact. energy: 0.241
local terms energy: -60.049438
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -12.530
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: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -174.643239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.643239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.643239 (E_RNA)
where:
Base-Base interactions energy: -111.365
where: short stacking energy: -42.762
Base-Backbone interact. energy: 0.366
local terms energy: -63.643299
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -11.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -105.269576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.269576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.269576 (E_RNA)
where:
Base-Base interactions energy: -48.910
where: short stacking energy: -38.389
Base-Backbone interact. energy: -0.067
local terms energy: -56.293196
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -5.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -90.808457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.808457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.808457 (E_RNA)
where:
Base-Base interactions energy: -31.041
where: short stacking energy: -31.041
Base-Backbone interact. energy: -0.007
local terms energy: -59.760498
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -7.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -87.079931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.079931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.079931 (E_RNA)
where:
Base-Base interactions energy: -37.403
where: short stacking energy: -25.329
Base-Backbone interact. energy: -0.258
local terms energy: -49.418234
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -82.226810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.226810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.226810 (E_RNA)
where:
Base-Base interactions energy: -28.931
where: short stacking energy: -28.499
Base-Backbone interact. energy: -0.426
local terms energy: -52.869808
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -2.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -77.325119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.325119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.325119 (E_RNA)
where:
Base-Base interactions energy: -32.547
where: short stacking energy: -23.783
Base-Backbone interact. energy: 1.562
local terms energy: -46.340259
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: 2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -78.109860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.109860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.109860 (E_RNA)
where:
Base-Base interactions energy: -35.980
where: short stacking energy: -35.980
Base-Backbone interact. energy: -0.101
local terms energy: -42.028912
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -5.288
flat angles P-C4'-P energy: -8.283
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: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -193.734659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.734659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.734659 (E_RNA)
where:
Base-Base interactions energy: -114.814
where: short stacking energy: -56.336
Base-Backbone interact. energy: -0.539
local terms energy: -78.382060
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -10.223
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: 2, replica: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -180.536517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.536517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.536517 (E_RNA)
where:
Base-Base interactions energy: -107.113
where: short stacking energy: -51.716
Base-Backbone interact. energy: -0.013
local terms energy: -73.410369
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -10.443
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: 3, replica: 8
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -204.518575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.518575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.518575 (E_RNA)
where:
Base-Base interactions energy: -133.846
where: short stacking energy: -57.637
Base-Backbone interact. energy: -0.089
local terms energy: -70.583214
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -17.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -178.617360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.617360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.617360 (E_RNA)
where:
Base-Base interactions energy: -110.061
where: short stacking energy: -48.729
Base-Backbone interact. energy: -0.141
local terms energy: -68.414807
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -12.520
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -103.965372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.965372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.965372 (E_RNA)
where:
Base-Base interactions energy: -48.288
where: short stacking energy: -36.106
Base-Backbone interact. energy: -0.129
local terms energy: -55.548733
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -8.598
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: 6, replica: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -106.312991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.312991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.312991 (E_RNA)
where:
Base-Base interactions energy: -59.201
where: short stacking energy: -32.457
Base-Backbone interact. energy: 1.591
local terms energy: -48.702997
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -6.236
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: 7, replica: 4
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -96.333016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.333016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.333016 (E_RNA)
where:
Base-Base interactions energy: -36.355
where: short stacking energy: -36.355
Base-Backbone interact. energy: -0.014
local terms energy: -59.963088
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -102.197712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.197712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.197712 (E_RNA)
where:
Base-Base interactions energy: -46.163
where: short stacking energy: -35.923
Base-Backbone interact. energy: -0.174
local terms energy: -55.860334
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -8.242
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: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -91.199182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.199182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.199182 (E_RNA)
where:
Base-Base interactions energy: -40.534
where: short stacking energy: -30.286
Base-Backbone interact. energy: -0.113
local terms energy: -50.551912
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -82.433681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.433681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.433681 (E_RNA)
where:
Base-Base interactions energy: -40.497
where: short stacking energy: -40.697
Base-Backbone interact. energy: 0.205
local terms energy: -42.140932
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -2.715
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: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -208.175894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.175894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.175894 (E_RNA)
where:
Base-Base interactions energy: -135.743
where: short stacking energy: -60.665
Base-Backbone interact. energy: -0.508
local terms energy: -71.924505
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -11.372
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: 50
Temperature: 0.950000
Total energy: -173.687753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.687753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.687753 (E_RNA)
where:
Base-Base interactions energy: -106.632
where: short stacking energy: -49.742
Base-Backbone interact. energy: -0.333
local terms energy: -66.722501
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -190.107743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.107743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.107743 (E_RNA)
where:
Base-Base interactions energy: -116.180
where: short stacking energy: -63.102
Base-Backbone interact. energy: -0.048
local terms energy: -73.879666
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -19.662
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: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -165.784191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.784191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.784191 (E_RNA)
where:
Base-Base interactions energy: -103.280
where: short stacking energy: -45.982
Base-Backbone interact. energy: -0.156
local terms energy: -62.348783
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -11.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -105.200387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.200387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.200387 (E_RNA)
where:
Base-Base interactions energy: -48.340
where: short stacking energy: -27.803
Base-Backbone interact. energy: -2.482
local terms energy: -54.377765
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -12.773
tors. eta vs tors. theta energy: -3.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -94.789124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.789124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.789124 (E_RNA)
where:
Base-Base interactions energy: -39.402
where: short stacking energy: -39.402
Base-Backbone interact. energy: -0.070
local terms energy: -55.316967
where:
bonds (distance) C4'-P energy: -9.603
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -91.578187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.578187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.578187 (E_RNA)
where:
Base-Base interactions energy: -30.372
where: short stacking energy: -30.372
Base-Backbone interact. energy: -0.004
local terms energy: -61.202177
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -7.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -84.904105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.904105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.904105 (E_RNA)
where:
Base-Base interactions energy: -42.999
where: short stacking energy: -39.151
Base-Backbone interact. energy: -0.035
local terms energy: -41.870140
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -9.083
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -6.256
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: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -76.009026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.009026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.009026 (E_RNA)
where:
Base-Base interactions energy: -31.868
where: short stacking energy: -23.600
Base-Backbone interact. energy: -0.057
local terms energy: -44.084197
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -10.815
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -73.279450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.279450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.279450 (E_RNA)
where:
Base-Base interactions energy: -32.464
where: short stacking energy: -25.758
Base-Backbone interact. energy: -0.232
local terms energy: -40.583819
where:
bonds (distance) C4'-P energy: -9.158
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: 0.155
tors. eta vs tors. theta energy: -6.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -201.462041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.462041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.462041 (E_RNA)
where:
Base-Base interactions energy: -126.156
where: short stacking energy: -51.584
Base-Backbone interact. energy: -0.009
local terms energy: -75.297260
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -198.970141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.970141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.970141 (E_RNA)
where:
Base-Base interactions energy: -121.364
where: short stacking energy: -67.116
Base-Backbone interact. energy: -0.024
local terms energy: -77.581636
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -22.301
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: 51
Temperature: 1.000000
Total energy: -187.266882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.266882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.266882 (E_RNA)
where:
Base-Base interactions energy: -125.043
where: short stacking energy: -55.680
Base-Backbone interact. energy: -0.403
local terms energy: -61.821242
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -185.967942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.967942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.967942 (E_RNA)
where:
Base-Base interactions energy: -118.415
where: short stacking energy: -52.758
Base-Backbone interact. energy: -0.466
local terms energy: -67.087639
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -106.564307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.564307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.564307 (E_RNA)
where:
Base-Base interactions energy: -44.651
where: short stacking energy: -44.651
Base-Backbone interact. energy: -0.455
local terms energy: -61.458010
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -95.005732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.005732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.005732 (E_RNA)
where:
Base-Base interactions energy: -36.703
where: short stacking energy: -36.703
Base-Backbone interact. energy: -0.021
local terms energy: -58.281706
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -7.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -98.444794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.444794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.444794 (E_RNA)
where:
Base-Base interactions energy: -40.678
where: short stacking energy: -36.448
Base-Backbone interact. energy: -0.122
local terms energy: -57.645270
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -4.994
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: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -81.139809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.139809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.139809 (E_RNA)
where:
Base-Base interactions energy: -24.850
where: short stacking energy: -24.850
Base-Backbone interact. energy: -0.128
local terms energy: -56.162318
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -9.046
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -77.014109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.014109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.014109 (E_RNA)
where:
Base-Base interactions energy: -20.127
where: short stacking energy: -20.127
Base-Backbone interact. energy: -0.146
local terms energy: -56.740980
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -79.133640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.133640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.133640 (E_RNA)
where:
Base-Base interactions energy: -32.221
where: short stacking energy: -26.801
Base-Backbone interact. energy: -0.009
local terms energy: -46.903619
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -8.252
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -199.825033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.825033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.825033 (E_RNA)
where:
Base-Base interactions energy: -128.475
where: short stacking energy: -62.539
Base-Backbone interact. energy: 0.708
local terms energy: -72.058081
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -197.717594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.717594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.717594 (E_RNA)
where:
Base-Base interactions energy: -126.248
where: short stacking energy: -62.824
Base-Backbone interact. energy: -0.002
local terms energy: -71.467741
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -6.320
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: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -175.905223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.905223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.905223 (E_RNA)
where:
Base-Base interactions energy: -108.162
where: short stacking energy: -43.032
Base-Backbone interact. energy: -0.280
local terms energy: -67.464098
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -11.583
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -10.716
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: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -186.338783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.338783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.338783 (E_RNA)
where:
Base-Base interactions energy: -126.134
where: short stacking energy: -51.743
Base-Backbone interact. energy: -0.017
local terms energy: -60.187817
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -10.968
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -100.071150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.071150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.071150 (E_RNA)
where:
Base-Base interactions energy: -39.277
where: short stacking energy: -38.605
Base-Backbone interact. energy: -0.063
local terms energy: -60.730985
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -8.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -92.520708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.520708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.520708 (E_RNA)
where:
Base-Base interactions energy: -39.866
where: short stacking energy: -35.177
Base-Backbone interact. energy: 0.255
local terms energy: -52.908946
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -12.614
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: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -86.339277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.339277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.339277 (E_RNA)
where:
Base-Base interactions energy: -33.655
where: short stacking energy: -29.369
Base-Backbone interact. energy: 0.721
local terms energy: -53.405761
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -7.178
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: 8, replica: 7
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -75.794799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.794799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.794799 (E_RNA)
where:
Base-Base interactions energy: -31.141
where: short stacking energy: -29.121
Base-Backbone interact. energy: -0.113
local terms energy: -44.540596
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -2.374
tors. eta vs tors. theta energy: 1.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -76.691654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.691654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.691654 (E_RNA)
where:
Base-Base interactions energy: -28.140
where: short stacking energy: -22.707
Base-Backbone interact. energy: 1.205
local terms energy: -49.756749
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -81.340623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.340623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.340623 (E_RNA)
where:
Base-Base interactions energy: -28.737
where: short stacking energy: -27.830
Base-Backbone interact. energy: 0.017
local terms energy: -52.619816
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -2.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -198.792089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.792089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.792089 (E_RNA)
where:
Base-Base interactions energy: -119.957
where: short stacking energy: -64.844
Base-Backbone interact. energy: -0.024
local terms energy: -78.810802
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -20.991
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: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -204.176312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.176312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.176312 (E_RNA)
where:
Base-Base interactions energy: -134.645
where: short stacking energy: -56.688
Base-Backbone interact. energy: -0.009
local terms energy: -69.522520
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -13.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -167.987426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.987426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.987426 (E_RNA)
where:
Base-Base interactions energy: -105.521
where: short stacking energy: -50.340
Base-Backbone interact. energy: -0.847
local terms energy: -61.619921
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -9.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -188.386981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.386981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.386981 (E_RNA)
where:
Base-Base interactions energy: -126.170
where: short stacking energy: -54.266
Base-Backbone interact. energy: -0.010
local terms energy: -62.207465
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -12.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -120.141912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.141912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.141912 (E_RNA)
where:
Base-Base interactions energy: -53.715
where: short stacking energy: -35.178
Base-Backbone interact. energy: -0.022
local terms energy: -66.404978
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -98.114510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.114510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.114510 (E_RNA)
where:
Base-Base interactions energy: -40.282
where: short stacking energy: -36.042
Base-Backbone interact. energy: -0.138
local terms energy: -57.695078
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -5.010
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: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -95.595175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.595175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.595175 (E_RNA)
where:
Base-Base interactions energy: -37.603
where: short stacking energy: -37.603
Base-Backbone interact. energy: -0.048
local terms energy: -57.944190
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -83.747631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.747631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.747631 (E_RNA)
where:
Base-Base interactions energy: -29.411
where: short stacking energy: -27.523
Base-Backbone interact. energy: -0.986
local terms energy: -53.350611
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -7.815
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: 9, replica: 7
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -77.412435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.412435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.412435 (E_RNA)
where:
Base-Base interactions energy: -34.417
where: short stacking energy: -19.338
Base-Backbone interact. energy: -0.152
local terms energy: -42.843587
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: 2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -70.438147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.438147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.438147 (E_RNA)
where:
Base-Base interactions energy: -23.382
where: short stacking energy: -19.462
Base-Backbone interact. energy: -0.181
local terms energy: -46.875713
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: 1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -196.622432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.622432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.622432 (E_RNA)
where:
Base-Base interactions energy: -124.867
where: short stacking energy: -63.004
Base-Backbone interact. energy: -0.393
local terms energy: -71.363249
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -205.306357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.306357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.306357 (E_RNA)
where:
Base-Base interactions energy: -130.121
where: short stacking energy: -70.283
Base-Backbone interact. energy: 0.541
local terms energy: -75.726035
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -20.546
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: 3, replica: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -173.499513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.499513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.499513 (E_RNA)
where:
Base-Base interactions energy: -105.373
where: short stacking energy: -48.674
Base-Backbone interact. energy: -0.266
local terms energy: -67.861026
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -10.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -184.342311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.342311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.342311 (E_RNA)
where:
Base-Base interactions energy: -110.288
where: short stacking energy: -58.862
Base-Backbone interact. energy: 0.619
local terms energy: -74.673715
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -11.459
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: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -115.462155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.462155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.462155 (E_RNA)
where:
Base-Base interactions energy: -54.501
where: short stacking energy: -32.281
Base-Backbone interact. energy: -0.795
local terms energy: -60.165937
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -4.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -99.878072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.878072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.878072 (E_RNA)
where:
Base-Base interactions energy: -51.236
where: short stacking energy: -29.327
Base-Backbone interact. energy: -0.249
local terms energy: -48.393586
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -3.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -82.831515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.831515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.831515 (E_RNA)
where:
Base-Base interactions energy: -32.568
where: short stacking energy: -32.568
Base-Backbone interact. energy: -0.194
local terms energy: -50.068942
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -9.462
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: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -78.005442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.005442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.005442 (E_RNA)
where:
Base-Base interactions energy: -24.658
where: short stacking energy: -17.350
Base-Backbone interact. energy: 0.592
local terms energy: -53.939169
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -102.451804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.451804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.451804 (E_RNA)
where:
Base-Base interactions energy: -48.135
where: short stacking energy: -22.341
Base-Backbone interact. energy: 1.501
local terms energy: -55.817739
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -9.906
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: 10, replica: 7
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -68.804842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.804842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.804842 (E_RNA)
where:
Base-Base interactions energy: -23.150
where: short stacking energy: -19.001
Base-Backbone interact. energy: -0.069
local terms energy: -45.585143
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: 2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -204.570873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.570873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.570873 (E_RNA)
where:
Base-Base interactions energy: -129.718
where: short stacking energy: -55.247
Base-Backbone interact. energy: -0.005
local terms energy: -74.848019
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -12.475
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: 2, replica: 8
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -189.169658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.169658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.169658 (E_RNA)
where:
Base-Base interactions energy: -112.435
where: short stacking energy: -58.958
Base-Backbone interact. energy: -0.610
local terms energy: -76.124384
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -13.554
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -184.549988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.549988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.549988 (E_RNA)
where:
Base-Base interactions energy: -107.544
where: short stacking energy: -57.087
Base-Backbone interact. energy: -0.013
local terms energy: -76.992480
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -10.534
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: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -181.188734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.188734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.188734 (E_RNA)
where:
Base-Base interactions energy: -109.716
where: short stacking energy: -56.757
Base-Backbone interact. energy: -1.741
local terms energy: -69.732638
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -13.896
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -14.854
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: 5, replica: 9
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -107.390836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.390836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.390836 (E_RNA)
where:
Base-Base interactions energy: -49.015
where: short stacking energy: -21.463
Base-Backbone interact. energy: -0.220
local terms energy: -58.156218
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -6.473
tors. eta vs tors. theta energy: -4.099
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: 6
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -111.265807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.265807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.265807 (E_RNA)
where:
Base-Base interactions energy: -56.041
where: short stacking energy: -53.045
Base-Backbone interact. energy: -0.067
local terms energy: -55.158133
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -8.519
flat angles C4'-P-C4' energy: -14.266
flat angles P-C4'-P energy: -5.673
tors. eta vs tors. theta energy: -11.632
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: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -79.472335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.472335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.472335 (E_RNA)
where:
Base-Base interactions energy: -28.201
where: short stacking energy: -28.201
Base-Backbone interact. energy: -0.060
local terms energy: -51.210487
where:
bonds (distance) C4'-P energy: -13.079
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -1.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -85.472382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.472382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.472382 (E_RNA)
where:
Base-Base interactions energy: -27.297
where: short stacking energy: -27.297
Base-Backbone interact. energy: -0.395
local terms energy: -57.781220
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -81.748165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.748165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.748165 (E_RNA)
where:
Base-Base interactions energy: -37.276
where: short stacking energy: -22.863
Base-Backbone interact. energy: 0.990
local terms energy: -45.462587
where:
bonds (distance) C4'-P energy: -10.312
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -8.235
flat angles P-C4'-P energy: -10.108
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: 10, replica: 7
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -73.848609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.848609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.848609 (E_RNA)
where:
Base-Base interactions energy: -24.215
where: short stacking energy: -16.635
Base-Backbone interact. energy: -0.250
local terms energy: -49.383281
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -0.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -194.527331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.527331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.527331 (E_RNA)
where:
Base-Base interactions energy: -122.031
where: short stacking energy: -60.628
Base-Backbone interact. energy: -0.130
local terms energy: -72.366429
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -8.761
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: 2, replica: 8
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -204.591449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.591449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.591449 (E_RNA)
where:
Base-Base interactions energy: -127.810
where: short stacking energy: -55.089
Base-Backbone interact. energy: -0.677
local terms energy: -76.103824
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -19.258
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: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -163.010273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.010273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.010273 (E_RNA)
where:
Base-Base interactions energy: -91.433
where: short stacking energy: -53.782
Base-Backbone interact. energy: -0.075
local terms energy: -71.501735
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -174.915896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.915896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.915896 (E_RNA)
where:
Base-Base interactions energy: -110.842
where: short stacking energy: -50.397
Base-Backbone interact. energy: -0.042
local terms energy: -64.031769
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -10.354
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: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -102.626162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.626162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.626162 (E_RNA)
where:
Base-Base interactions energy: -43.076
where: short stacking energy: -37.692
Base-Backbone interact. energy: -0.070
local terms energy: -59.480300
where:
bonds (distance) C4'-P energy: -8.253
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -11.477
tors. eta vs tors. theta energy: -9.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -104.119701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.119701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.119701 (E_RNA)
where:
Base-Base interactions energy: -46.247
where: short stacking energy: -43.629
Base-Backbone interact. energy: -0.248
local terms energy: -57.625183
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -10.413
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: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -98.060536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.060536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.060536 (E_RNA)
where:
Base-Base interactions energy: -34.718
where: short stacking energy: -33.474
Base-Backbone interact. energy: -0.152
local terms energy: -63.190841
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -7.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -86.294550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.294550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.294550 (E_RNA)
where:
Base-Base interactions energy: -35.221
where: short stacking energy: -34.293
Base-Backbone interact. energy: -0.117
local terms energy: -50.956437
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -1.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -74.937645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.937645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.937645 (E_RNA)
where:
Base-Base interactions energy: -25.417
where: short stacking energy: -24.893
Base-Backbone interact. energy: -0.016
local terms energy: -49.504683
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -70.622965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.622965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.622965 (E_RNA)
where:
Base-Base interactions energy: -18.643
where: short stacking energy: -16.612
Base-Backbone interact. energy: -0.032
local terms energy: -51.947857
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -9.765
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: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -189.108859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.108859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.108859 (E_RNA)
where:
Base-Base interactions energy: -116.171
where: short stacking energy: -59.282
Base-Backbone interact. energy: -0.155
local terms energy: -72.782869
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -12.943
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: 2, replica: 8
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -212.218601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.218601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.218601 (E_RNA)
where:
Base-Base interactions energy: -144.251
where: short stacking energy: -60.451
Base-Backbone interact. energy: -1.385
local terms energy: -66.582499
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -13.872
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: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -182.343792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.343792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.343792 (E_RNA)
where:
Base-Base interactions energy: -116.348
where: short stacking energy: -53.403
Base-Backbone interact. energy: -0.025
local terms energy: -65.970293
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -11.385
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -17.132
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: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -174.918438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.918438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.918438 (E_RNA)
where:
Base-Base interactions energy: -113.389
where: short stacking energy: -58.816
Base-Backbone interact. energy: -0.002
local terms energy: -61.526723
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -8.571
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: 6
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -103.803942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.803942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.803942 (E_RNA)
where:
Base-Base interactions energy: -53.016
where: short stacking energy: -31.304
Base-Backbone interact. energy: 0.464
local terms energy: -51.252355
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -3.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -95.937162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.937162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.937162 (E_RNA)
where:
Base-Base interactions energy: -38.317
where: short stacking energy: -38.317
Base-Backbone interact. energy: -0.131
local terms energy: -57.488760
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -9.663
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -92.649977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.649977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.649977 (E_RNA)
where:
Base-Base interactions energy: -38.964
where: short stacking energy: -34.941
Base-Backbone interact. energy: -0.213
local terms energy: -53.473122
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -10.666
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -12.139
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: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -83.703603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.703603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.703603 (E_RNA)
where:
Base-Base interactions energy: -34.064
where: short stacking energy: -28.573
Base-Backbone interact. energy: -0.294
local terms energy: -49.344785
where:
bonds (distance) C4'-P energy: -6.700
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -12.237
tors. eta vs tors. theta energy: -2.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -80.984163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.984163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.984163 (E_RNA)
where:
Base-Base interactions energy: -33.409
where: short stacking energy: -33.409
Base-Backbone interact. energy: -0.170
local terms energy: -47.404498
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -6.254
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -8.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -78.951689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.951689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.951689 (E_RNA)
where:
Base-Base interactions energy: -30.800
where: short stacking energy: -30.800
Base-Backbone interact. energy: -0.076
local terms energy: -48.076620
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -6.147
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: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -205.537344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.537344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.537344 (E_RNA)
where:
Base-Base interactions energy: -128.065
where: short stacking energy: -56.421
Base-Backbone interact. energy: -0.952
local terms energy: -76.520727
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -186.515520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.515520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.515520 (E_RNA)
where:
Base-Base interactions energy: -115.361
where: short stacking energy: -59.047
Base-Backbone interact. energy: 0.616
local terms energy: -71.770565
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -19.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -189.170886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.170886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.170886 (E_RNA)
where:
Base-Base interactions energy: -112.751
where: short stacking energy: -62.741
Base-Backbone interact. energy: -0.003
local terms energy: -76.416756
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -177.938427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.938427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.938427 (E_RNA)
where:
Base-Base interactions energy: -103.627
where: short stacking energy: -52.566
Base-Backbone interact. energy: -0.011
local terms energy: -74.299993
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -89.025278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.025278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.025278 (E_RNA)
where:
Base-Base interactions energy: -38.585
where: short stacking energy: -29.003
Base-Backbone interact. energy: 0.030
local terms energy: -50.469952
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -3.468
tors. eta vs tors. theta energy: -4.794
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: 6
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -97.104710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.104710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.104710 (E_RNA)
where:
Base-Base interactions energy: -44.503
where: short stacking energy: -40.615
Base-Backbone interact. energy: 0.597
local terms energy: -53.199135
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -9.489
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: 7, replica: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -89.993447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.993447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.993447 (E_RNA)
where:
Base-Base interactions energy: -31.267
where: short stacking energy: -28.271
Base-Backbone interact. energy: -0.044
local terms energy: -58.682300
where:
bonds (distance) C4'-P energy: -12.793
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -80.787164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.787164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.787164 (E_RNA)
where:
Base-Base interactions energy: -27.912
where: short stacking energy: -17.133
Base-Backbone interact. energy: -0.130
local terms energy: -52.745333
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: 1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -78.594098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.594098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.594098 (E_RNA)
where:
Base-Base interactions energy: -25.956
where: short stacking energy: -22.822
Base-Backbone interact. energy: -0.126
local terms energy: -52.512081
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -4.754
tors. eta vs tors. theta energy: -7.493
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: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -81.378844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.378844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.378844 (E_RNA)
where:
Base-Base interactions energy: -31.393
where: short stacking energy: -31.393
Base-Backbone interact. energy: -0.097
local terms energy: -49.888666
where:
bonds (distance) C4'-P energy: -7.541
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -6.429
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: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -209.655194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.655194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.655194 (E_RNA)
where:
Base-Base interactions energy: -136.435
where: short stacking energy: -58.923
Base-Backbone interact. energy: -0.553
local terms energy: -72.667034
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -18.454
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: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -189.760041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.760041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.760041 (E_RNA)
where:
Base-Base interactions energy: -113.816
where: short stacking energy: -56.091
Base-Backbone interact. energy: -0.699
local terms energy: -75.245409
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -20.744
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: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -182.436975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.436975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.436975 (E_RNA)
where:
Base-Base interactions energy: -113.709
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.817
local terms energy: -67.910225
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -191.413569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.413569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.413569 (E_RNA)
where:
Base-Base interactions energy: -121.854
where: short stacking energy: -54.930
Base-Backbone interact. energy: -0.116
local terms energy: -69.443835
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -117.261289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.261289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.261289 (E_RNA)
where:
Base-Base interactions energy: -72.592
where: short stacking energy: -36.287
Base-Backbone interact. energy: -0.076
local terms energy: -44.593083
where:
bonds (distance) C4'-P energy: -7.100
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -100.628668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.628668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.628668 (E_RNA)
where:
Base-Base interactions energy: -44.949
where: short stacking energy: -40.847
Base-Backbone interact. energy: -0.011
local terms energy: -55.669102
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -10.463
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: 6
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -90.491987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.491987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.491987 (E_RNA)
where:
Base-Base interactions energy: -38.595
where: short stacking energy: -38.595
Base-Backbone interact. energy: -0.109
local terms energy: -51.787370
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -9.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -84.545343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.545343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.545343 (E_RNA)
where:
Base-Base interactions energy: -21.744
where: short stacking energy: -18.559
Base-Backbone interact. energy: -0.023
local terms energy: -62.778480
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -81.291051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.291051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.291051 (E_RNA)
where:
Base-Base interactions energy: -30.454
where: short stacking energy: -30.177
Base-Backbone interact. energy: -0.150
local terms energy: -50.687134
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -74.562473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.562473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.562473 (E_RNA)
where:
Base-Base interactions energy: -29.411
where: short stacking energy: -23.271
Base-Backbone interact. energy: 0.559
local terms energy: -45.710522
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -206.691726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.691726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.691726 (E_RNA)
where:
Base-Base interactions energy: -134.001
where: short stacking energy: -61.541
Base-Backbone interact. energy: -0.039
local terms energy: -72.651706
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -18.669
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -16.666
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: 8
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -209.977389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.977389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.977389 (E_RNA)
where:
Base-Base interactions energy: -141.982
where: short stacking energy: -62.890
Base-Backbone interact. energy: 0.172
local terms energy: -68.167306
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -187.217429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.217429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.217429 (E_RNA)
where:
Base-Base interactions energy: -118.894
where: short stacking energy: -53.460
Base-Backbone interact. energy: 0.094
local terms energy: -68.417669
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -14.209
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: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -169.042508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.042508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.042508 (E_RNA)
where:
Base-Base interactions energy: -99.619
where: short stacking energy: -43.105
Base-Backbone interact. energy: -0.823
local terms energy: -68.599797
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -10.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -107.372166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.372166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.372166 (E_RNA)
where:
Base-Base interactions energy: -46.628
where: short stacking energy: -46.628
Base-Backbone interact. energy: -0.398
local terms energy: -60.346355
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -11.246
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: 7
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -80.081744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.081744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.081744 (E_RNA)
where:
Base-Base interactions energy: -34.554
where: short stacking energy: -22.889
Base-Backbone interact. energy: -0.054
local terms energy: -45.473794
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -3.129
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: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -97.701639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.701639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.701639 (E_RNA)
where:
Base-Base interactions energy: -38.784
where: short stacking energy: -37.463
Base-Backbone interact. energy: -0.192
local terms energy: -58.725423
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -80.976532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.976532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.976532 (E_RNA)
where:
Base-Base interactions energy: -28.725
where: short stacking energy: -28.725
Base-Backbone interact. energy: 0.841
local terms energy: -53.092509
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -4.328
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: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -79.773464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.773464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.773464 (E_RNA)
where:
Base-Base interactions energy: -31.403
where: short stacking energy: -20.944
Base-Backbone interact. energy: -0.235
local terms energy: -48.134829
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -3.043
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: 10, replica: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -65.389519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.389519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.389519 (E_RNA)
where:
Base-Base interactions energy: -26.507
where: short stacking energy: -20.761
Base-Backbone interact. energy: -0.270
local terms energy: -38.612743
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -7.139
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: 3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -203.076765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.076765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.076765 (E_RNA)
where:
Base-Base interactions energy: -127.000
where: short stacking energy: -74.785
Base-Backbone interact. energy: -0.063
local terms energy: -76.014004
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -211.946626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.946626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.946626 (E_RNA)
where:
Base-Base interactions energy: -145.937
where: short stacking energy: -57.495
Base-Backbone interact. energy: -0.997
local terms energy: -65.012269
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -7.332
tors. eta vs tors. theta energy: -19.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -179.729653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.729653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.729653 (E_RNA)
where:
Base-Base interactions energy: -108.555
where: short stacking energy: -57.344
Base-Backbone interact. energy: -0.087
local terms energy: -71.087935
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -8.925
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: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -176.435961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.435961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.435961 (E_RNA)
where:
Base-Base interactions energy: -112.683
where: short stacking energy: -54.707
Base-Backbone interact. energy: 3.741
local terms energy: -67.493671
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -105.608870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.608870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.608870 (E_RNA)
where:
Base-Base interactions energy: -51.651
where: short stacking energy: -35.261
Base-Backbone interact. energy: -0.127
local terms energy: -53.830569
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -95.860770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.860770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.860770 (E_RNA)
where:
Base-Base interactions energy: -38.731
where: short stacking energy: -31.382
Base-Backbone interact. energy: -1.017
local terms energy: -56.112998
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -85.938538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.938538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.938538 (E_RNA)
where:
Base-Base interactions energy: -38.925
where: short stacking energy: -36.565
Base-Backbone interact. energy: -0.151
local terms energy: -46.862528
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -80.903678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.903678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.903678 (E_RNA)
where:
Base-Base interactions energy: -31.055
where: short stacking energy: -27.786
Base-Backbone interact. energy: -0.109
local terms energy: -49.739753
where:
bonds (distance) C4'-P energy: -8.504
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -88.814281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.814281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.814281 (E_RNA)
where:
Base-Base interactions energy: -37.180
where: short stacking energy: -26.866
Base-Backbone interact. energy: 1.968
local terms energy: -53.602094
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -78.705859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.705859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.705859 (E_RNA)
where:
Base-Base interactions energy: -24.118
where: short stacking energy: -24.118
Base-Backbone interact. energy: -0.117
local terms energy: -54.470607
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -8.611
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: 1, replica: 8
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -221.377321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.377321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.377321 (E_RNA)
where:
Base-Base interactions energy: -147.300
where: short stacking energy: -57.251
Base-Backbone interact. energy: -0.432
local terms energy: -73.645393
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -12.104
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: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -186.179860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.179860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.179860 (E_RNA)
where:
Base-Base interactions energy: -111.410
where: short stacking energy: -50.026
Base-Backbone interact. energy: -0.070
local terms energy: -74.699936
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -11.172
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: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -181.371543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.371543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.371543 (E_RNA)
where:
Base-Base interactions energy: -110.036
where: short stacking energy: -53.412
Base-Backbone interact. energy: -0.417
local terms energy: -70.918405
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -11.429
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: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -187.717941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.717941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.717941 (E_RNA)
where:
Base-Base interactions energy: -124.949
where: short stacking energy: -65.561
Base-Backbone interact. energy: -0.012
local terms energy: -62.756501
where:
bonds (distance) C4'-P energy: -7.847
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -91.533658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.533658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.533658 (E_RNA)
where:
Base-Base interactions energy: -36.148
where: short stacking energy: -36.148
Base-Backbone interact. energy: 0.099
local terms energy: -55.484811
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -9.399
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -4.211
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: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -110.543290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.543290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.543290 (E_RNA)
where:
Base-Base interactions energy: -47.943
where: short stacking energy: -43.896
Base-Backbone interact. energy: -0.112
local terms energy: -62.487894
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -90.072017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.072017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.072017 (E_RNA)
where:
Base-Base interactions energy: -28.744
where: short stacking energy: -28.049
Base-Backbone interact. energy: -0.195
local terms energy: -61.133656
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -5.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -87.558313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.558313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.558313 (E_RNA)
where:
Base-Base interactions energy: -31.259
where: short stacking energy: -27.946
Base-Backbone interact. energy: -0.281
local terms energy: -56.018373
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -6.995
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: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -77.252912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.252912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.252912 (E_RNA)
where:
Base-Base interactions energy: -31.412
where: short stacking energy: -28.276
Base-Backbone interact. energy: -0.029
local terms energy: -45.811773
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -87.373946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.373946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.373946 (E_RNA)
where:
Base-Base interactions energy: -37.075
where: short stacking energy: -28.733
Base-Backbone interact. energy: -0.332
local terms energy: -49.967484
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -10.201
flat angles P-C4'-P energy: -7.437
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: 1, replica: 8
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -214.312206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.312206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.312206 (E_RNA)
where:
Base-Base interactions energy: -144.417
where: short stacking energy: -54.871
Base-Backbone interact. energy: -1.031
local terms energy: -68.863732
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -203.346151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.346151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.346151 (E_RNA)
where:
Base-Base interactions energy: -126.819
where: short stacking energy: -64.293
Base-Backbone interact. energy: 0.169
local terms energy: -76.697105
where:
bonds (distance) C4'-P energy: -13.980
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -9.236
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -190.975654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.975654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.975654 (E_RNA)
where:
Base-Base interactions energy: -121.488
where: short stacking energy: -53.294
Base-Backbone interact. energy: -0.106
local terms energy: -69.381709
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -10.341
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -16.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -187.011676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.011676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.011676 (E_RNA)
where:
Base-Base interactions energy: -114.959
where: short stacking energy: -57.061
Base-Backbone interact. energy: -0.399
local terms energy: -71.653715
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -103.635003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.635003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.635003 (E_RNA)
where:
Base-Base interactions energy: -43.260
where: short stacking energy: -38.912
Base-Backbone interact. energy: -0.073
local terms energy: -60.302652
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -10.772
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -9.166
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: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -109.026162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.026162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.026162 (E_RNA)
where:
Base-Base interactions energy: -50.029
where: short stacking energy: -36.849
Base-Backbone interact. energy: -0.332
local terms energy: -58.665032
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -7.403
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: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -89.134248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.134248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.134248 (E_RNA)
where:
Base-Base interactions energy: -37.767
where: short stacking energy: -37.767
Base-Backbone interact. energy: -0.070
local terms energy: -51.297128
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -7.313
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: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -75.176185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.176185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.176185 (E_RNA)
where:
Base-Base interactions energy: -24.783
where: short stacking energy: -17.085
Base-Backbone interact. energy: -0.095
local terms energy: -50.298187
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: 2.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -86.847296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.847296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.847296 (E_RNA)
where:
Base-Base interactions energy: -35.415
where: short stacking energy: -31.721
Base-Backbone interact. energy: -0.165
local terms energy: -51.266816
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -6.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -83.195334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.195334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.195334 (E_RNA)
where:
Base-Base interactions energy: -25.871
where: short stacking energy: -25.051
Base-Backbone interact. energy: -0.096
local terms energy: -57.228314
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -220.982740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.982740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.982740 (E_RNA)
where:
Base-Base interactions energy: -140.585
where: short stacking energy: -63.485
Base-Backbone interact. energy: -0.410
local terms energy: -79.988508
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -200.881176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.881176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.881176 (E_RNA)
where:
Base-Base interactions energy: -122.853
where: short stacking energy: -67.874
Base-Backbone interact. energy: -0.173
local terms energy: -77.855271
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -11.318
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -179.785769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.785769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.785769 (E_RNA)
where:
Base-Base interactions energy: -105.997
where: short stacking energy: -53.202
Base-Backbone interact. energy: -0.082
local terms energy: -73.706698
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -14.526
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: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -186.204954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.204954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.204954 (E_RNA)
where:
Base-Base interactions energy: -109.793
where: short stacking energy: -54.126
Base-Backbone interact. energy: -0.612
local terms energy: -75.800417
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -20.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -114.504944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.504944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.504944 (E_RNA)
where:
Base-Base interactions energy: -57.300
where: short stacking energy: -41.860
Base-Backbone interact. energy: -0.002
local terms energy: -57.203521
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -102.435675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.435675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.435675 (E_RNA)
where:
Base-Base interactions energy: -37.692
where: short stacking energy: -30.917
Base-Backbone interact. energy: -0.924
local terms energy: -63.819761
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -10.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -95.364871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.364871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.364871 (E_RNA)
where:
Base-Base interactions energy: -37.606
where: short stacking energy: -37.606
Base-Backbone interact. energy: -0.103
local terms energy: -57.655148
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -7.464
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -77.741698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.741698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.741698 (E_RNA)
where:
Base-Base interactions energy: -26.084
where: short stacking energy: -26.084
Base-Backbone interact. energy: -0.224
local terms energy: -51.434370
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -3.255
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: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -79.493958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.493958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.493958 (E_RNA)
where:
Base-Base interactions energy: -32.349
where: short stacking energy: -25.589
Base-Backbone interact. energy: 0.680
local terms energy: -47.825207
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -6.183
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: 10, replica: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -78.201761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.201761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.201761 (E_RNA)
where:
Base-Base interactions energy: -21.666
where: short stacking energy: -21.630
Base-Backbone interact. energy: -1.185
local terms energy: -55.350958
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -0.066
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: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -212.313312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.313312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.313312 (E_RNA)
where:
Base-Base interactions energy: -140.905
where: short stacking energy: -62.820
Base-Backbone interact. energy: -0.703
local terms energy: -70.705914
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -189.533367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.533367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.533367 (E_RNA)
where:
Base-Base interactions energy: -124.886
where: short stacking energy: -50.567
Base-Backbone interact. energy: -0.075
local terms energy: -64.572692
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -176.883737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.883737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.883737 (E_RNA)
where:
Base-Base interactions energy: -103.325
where: short stacking energy: -51.564
Base-Backbone interact. energy: 0.181
local terms energy: -73.739076
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -180.019518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.019518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.019518 (E_RNA)
where:
Base-Base interactions energy: -118.365
where: short stacking energy: -59.951
Base-Backbone interact. energy: -0.095
local terms energy: -61.559679
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -14.973
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: 65
Temperature: 1.100000
Total energy: -99.663882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.663882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.663882 (E_RNA)
where:
Base-Base interactions energy: -53.199
where: short stacking energy: -40.651
Base-Backbone interact. energy: -0.195
local terms energy: -46.269952
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -8.722
flat angles P-C4'-P energy: -5.381
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: 6, replica: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -111.303738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.303738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.303738 (E_RNA)
where:
Base-Base interactions energy: -48.969
where: short stacking energy: -48.792
Base-Backbone interact. energy: -0.028
local terms energy: -62.306393
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -10.930
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -12.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -79.891588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.891588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.891588 (E_RNA)
where:
Base-Base interactions energy: -31.559
where: short stacking energy: -22.841
Base-Backbone interact. energy: -0.173
local terms energy: -48.159953
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -10.823
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: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -75.662077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.662077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.662077 (E_RNA)
where:
Base-Base interactions energy: -27.481
where: short stacking energy: -25.750
Base-Backbone interact. energy: -0.466
local terms energy: -47.715277
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -1.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -75.348927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.348927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.348927 (E_RNA)
where:
Base-Base interactions energy: -32.065
where: short stacking energy: -16.631
Base-Backbone interact. energy: -0.172
local terms energy: -43.111557
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: 3.772
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: 65
Temperature: 1.350000
Total energy: -84.992044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.992044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.992044 (E_RNA)
where:
Base-Base interactions energy: -32.545
where: short stacking energy: -26.697
Base-Backbone interact. energy: -0.264
local terms energy: -52.182888
where:
bonds (distance) C4'-P energy: -12.263
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -7.711
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: 1, replica: 8
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -209.296689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.296689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.296689 (E_RNA)
where:
Base-Base interactions energy: -138.524
where: short stacking energy: -64.182
Base-Backbone interact. energy: -0.720
local terms energy: -70.052206
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -17.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -180.987425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.987425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.987425 (E_RNA)
where:
Base-Base interactions energy: -115.214
where: short stacking energy: -59.319
Base-Backbone interact. energy: -0.287
local terms energy: -65.485924
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -12.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -192.534942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.534942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.534942 (E_RNA)
where:
Base-Base interactions energy: -118.415
where: short stacking energy: -61.556
Base-Backbone interact. energy: -0.241
local terms energy: -73.879392
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -16.320
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -17.525
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: 66
Temperature: 1.050000
Total energy: -168.522439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.522439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.522439 (E_RNA)
where:
Base-Base interactions energy: -102.683
where: short stacking energy: -52.765
Base-Backbone interact. energy: -0.043
local terms energy: -65.796615
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -13.213
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: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -97.327910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.327910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.327910 (E_RNA)
where:
Base-Base interactions energy: -41.147
where: short stacking energy: -41.147
Base-Backbone interact. energy: -0.148
local terms energy: -56.032522
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -9.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -92.303924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.303924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.303924 (E_RNA)
where:
Base-Base interactions energy: -36.693
where: short stacking energy: -36.154
Base-Backbone interact. energy: 0.008
local terms energy: -55.619593
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -4.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -91.129395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.129395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.129395 (E_RNA)
where:
Base-Base interactions energy: -35.110
where: short stacking energy: -24.054
Base-Backbone interact. energy: -0.218
local terms energy: -55.801146
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -2.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -85.132322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.132322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.132322 (E_RNA)
where:
Base-Base interactions energy: -28.437
where: short stacking energy: -23.894
Base-Backbone interact. energy: -0.180
local terms energy: -56.515035
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -8.693
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: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -75.520501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.520501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.520501 (E_RNA)
where:
Base-Base interactions energy: -25.323
where: short stacking energy: -23.739
Base-Backbone interact. energy: -0.171
local terms energy: -50.027095
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -74.857529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.857529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.857529 (E_RNA)
where:
Base-Base interactions energy: -31.959
where: short stacking energy: -32.292
Base-Backbone interact. energy: 0.124
local terms energy: -43.022663
where:
bonds (distance) C4'-P energy: -8.067
bonds (distance) P-C4' energy: -9.594
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -5.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -204.658014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.658014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.658014 (E_RNA)
where:
Base-Base interactions energy: -132.939
where: short stacking energy: -54.702
Base-Backbone interact. energy: -0.835
local terms energy: -70.884003
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -16.196
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: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -200.277913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.277913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.277913 (E_RNA)
where:
Base-Base interactions energy: -123.834
where: short stacking energy: -59.946
Base-Backbone interact. energy: -0.007
local terms energy: -76.436691
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -198.779121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.779121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.779121 (E_RNA)
where:
Base-Base interactions energy: -123.585
where: short stacking energy: -64.707
Base-Backbone interact. energy: -0.008
local terms energy: -75.185794
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -17.716
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: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -179.642554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.642554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.642554 (E_RNA)
where:
Base-Base interactions energy: -112.274
where: short stacking energy: -54.061
Base-Backbone interact. energy: -0.262
local terms energy: -67.106886
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -16.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -93.268484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.268484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.268484 (E_RNA)
where:
Base-Base interactions energy: -35.303
where: short stacking energy: -34.054
Base-Backbone interact. energy: -0.272
local terms energy: -57.693899
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -6.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -98.826434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.826434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.826434 (E_RNA)
where:
Base-Base interactions energy: -49.598
where: short stacking energy: -43.444
Base-Backbone interact. energy: -0.083
local terms energy: -49.145328
where:
bonds (distance) C4'-P energy: -12.413
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -1.040
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: 67
Temperature: 1.200000
Total energy: -86.158900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.158900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.158900 (E_RNA)
where:
Base-Base interactions energy: -32.586
where: short stacking energy: -27.765
Base-Backbone interact. energy: -0.228
local terms energy: -53.344425
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -94.189484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.189484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.189484 (E_RNA)
where:
Base-Base interactions energy: -43.555
where: short stacking energy: -25.013
Base-Backbone interact. energy: -0.284
local terms energy: -50.350250
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -4.309
tors. eta vs tors. theta energy: -4.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -81.681474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.681474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.681474 (E_RNA)
where:
Base-Base interactions energy: -32.684
where: short stacking energy: -32.420
Base-Backbone interact. energy: -0.039
local terms energy: -48.958182
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: -7.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -67.433208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.433208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.433208 (E_RNA)
where:
Base-Base interactions energy: -23.269
where: short stacking energy: -23.219
Base-Backbone interact. energy: 0.524
local terms energy: -44.688444
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -9.334
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: 0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -208.162568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.162568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.162568 (E_RNA)
where:
Base-Base interactions energy: -134.919
where: short stacking energy: -64.102
Base-Backbone interact. energy: -0.377
local terms energy: -72.867044
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -197.304759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.304759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.304759 (E_RNA)
where:
Base-Base interactions energy: -130.096
where: short stacking energy: -54.392
Base-Backbone interact. energy: -0.005
local terms energy: -67.203859
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -187.599942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.599942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.599942 (E_RNA)
where:
Base-Base interactions energy: -114.531
where: short stacking energy: -56.331
Base-Backbone interact. energy: -0.272
local terms energy: -72.796960
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -16.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -182.947808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.947808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.947808 (E_RNA)
where:
Base-Base interactions energy: -112.708
where: short stacking energy: -54.564
Base-Backbone interact. energy: -0.703
local terms energy: -69.536495
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -12.585
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: 5, replica: 9
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -93.554353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.554353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.554353 (E_RNA)
where:
Base-Base interactions energy: -42.930
where: short stacking energy: -32.214
Base-Backbone interact. energy: -0.220
local terms energy: -50.404926
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -13.766
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -3.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -90.178777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.178777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.178777 (E_RNA)
where:
Base-Base interactions energy: -34.908
where: short stacking energy: -33.722
Base-Backbone interact. energy: -0.009
local terms energy: -55.262053
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -10.964
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -8.970
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: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -89.243060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.243060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.243060 (E_RNA)
where:
Base-Base interactions energy: -34.236
where: short stacking energy: -25.109
Base-Backbone interact. energy: -0.086
local terms energy: -54.921092
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -7.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -77.819899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.819899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.819899 (E_RNA)
where:
Base-Base interactions energy: -31.481
where: short stacking energy: -21.547
Base-Backbone interact. energy: -0.266
local terms energy: -46.072615
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: 0.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -84.594036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.594036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.594036 (E_RNA)
where:
Base-Base interactions energy: -39.016
where: short stacking energy: -22.465
Base-Backbone interact. energy: -0.631
local terms energy: -44.946887
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: 3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -79.082196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.082196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.082196 (E_RNA)
where:
Base-Base interactions energy: -28.720
where: short stacking energy: -28.606
Base-Backbone interact. energy: -0.043
local terms energy: -50.318812
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -3.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -213.533996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.533996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.533996 (E_RNA)
where:
Base-Base interactions energy: -141.783
where: short stacking energy: -65.952
Base-Backbone interact. energy: -0.576
local terms energy: -71.174379
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -7.966
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -189.550372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.550372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.550372 (E_RNA)
where:
Base-Base interactions energy: -112.942
where: short stacking energy: -55.868
Base-Backbone interact. energy: -0.016
local terms energy: -76.592709
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -17.795
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: 69
Temperature: 1.000000
Total energy: -183.857505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.857505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.857505 (E_RNA)
where:
Base-Base interactions energy: -125.187
where: short stacking energy: -52.812
Base-Backbone interact. energy: -1.091
local terms energy: -57.579613
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -170.351431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.351431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.351431 (E_RNA)
where:
Base-Base interactions energy: -106.241
where: short stacking energy: -40.392
Base-Backbone interact. energy: -0.140
local terms energy: -63.969764
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -108.116244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.116244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.116244 (E_RNA)
where:
Base-Base interactions energy: -48.692
where: short stacking energy: -36.101
Base-Backbone interact. energy: -0.500
local terms energy: -58.924351
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -87.993933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.993933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.993933 (E_RNA)
where:
Base-Base interactions energy: -38.279
where: short stacking energy: -31.451
Base-Backbone interact. energy: -0.320
local terms energy: -49.394382
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -11.811
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -4.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -97.921436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.921436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.921436 (E_RNA)
where:
Base-Base interactions energy: -42.522
where: short stacking energy: -42.522
Base-Backbone interact. energy: -0.113
local terms energy: -55.286408
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -9.296
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -7.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -84.204580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.204580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.204580 (E_RNA)
where:
Base-Base interactions energy: -33.143
where: short stacking energy: -24.878
Base-Backbone interact. energy: -0.187
local terms energy: -50.874488
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -8.774
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -1.419
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: 69
Temperature: 1.300000
Total energy: -72.926507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.926507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.926507 (E_RNA)
where:
Base-Base interactions energy: -28.366
where: short stacking energy: -22.852
Base-Backbone interact. energy: -0.373
local terms energy: -44.188340
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: 0.682
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: 69
Temperature: 1.350000
Total energy: -82.525878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.525878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.525878 (E_RNA)
where:
Base-Base interactions energy: -30.947
where: short stacking energy: -30.947
Base-Backbone interact. energy: -0.089
local terms energy: -51.489373
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -9.173
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -220.768588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.768588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.768588 (E_RNA)
where:
Base-Base interactions energy: -147.145
where: short stacking energy: -58.949
Base-Backbone interact. energy: -0.579
local terms energy: -73.044623
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -17.562
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: 70
Temperature: 0.950000
Total energy: -189.634689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.634689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.634689 (E_RNA)
where:
Base-Base interactions energy: -116.022
where: short stacking energy: -55.268
Base-Backbone interact. energy: 0.087
local terms energy: -73.698992
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -19.427
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: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -185.252209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.252209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.252209 (E_RNA)
where:
Base-Base interactions energy: -123.186
where: short stacking energy: -60.501
Base-Backbone interact. energy: -0.050
local terms energy: -62.016309
where:
bonds (distance) C4'-P energy: -8.962
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -10.760
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: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -174.314769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.314769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.314769 (E_RNA)
where:
Base-Base interactions energy: -102.742
where: short stacking energy: -54.417
Base-Backbone interact. energy: -0.404
local terms energy: -71.168468
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -15.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -106.792984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.792984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.792984 (E_RNA)
where:
Base-Base interactions energy: -48.627
where: short stacking energy: -48.627
Base-Backbone interact. energy: -0.031
local terms energy: -58.134587
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -11.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -92.884180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.884180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.884180 (E_RNA)
where:
Base-Base interactions energy: -34.507
where: short stacking energy: -27.846
Base-Backbone interact. energy: -1.126
local terms energy: -57.250616
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -12.887
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: 7, replica: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -81.731854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.731854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.731854 (E_RNA)
where:
Base-Base interactions energy: -24.775
where: short stacking energy: -20.208
Base-Backbone interact. energy: -0.169
local terms energy: -56.788234
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.389
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -75.524805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.524805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.524805 (E_RNA)
where:
Base-Base interactions energy: -25.162
where: short stacking energy: -25.162
Base-Backbone interact. energy: 0.912
local terms energy: -51.274933
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -77.673594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.673594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.673594 (E_RNA)
where:
Base-Base interactions energy: -30.242
where: short stacking energy: -25.501
Base-Backbone interact. energy: -0.135
local terms energy: -47.295914
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -9.632
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -73.872113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.872113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.872113 (E_RNA)
where:
Base-Base interactions energy: -25.250
where: short stacking energy: -25.250
Base-Backbone interact. energy: -0.035
local terms energy: -48.587476
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -211.784369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.784369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.784369 (E_RNA)
where:
Base-Base interactions energy: -136.703
where: short stacking energy: -56.247
Base-Backbone interact. energy: -0.478
local terms energy: -74.603842
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -196.095231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.095231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.095231 (E_RNA)
where:
Base-Base interactions energy: -132.840
where: short stacking energy: -59.597
Base-Backbone interact. energy: 0.617
local terms energy: -63.872518
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -11.740
flat angles P-C4'-P energy: -8.243
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: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -189.903489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.903489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.903489 (E_RNA)
where:
Base-Base interactions energy: -115.693
where: short stacking energy: -50.443
Base-Backbone interact. energy: -0.056
local terms energy: -74.154368
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -13.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -180.747480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.747480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.747480 (E_RNA)
where:
Base-Base interactions energy: -110.856
where: short stacking energy: -56.360
Base-Backbone interact. energy: -0.005
local terms energy: -69.886895
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -95.023571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.023571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.023571 (E_RNA)
where:
Base-Base interactions energy: -40.090
where: short stacking energy: -30.187
Base-Backbone interact. energy: -0.082
local terms energy: -54.851967
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -6.406
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -90.811161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.811161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.811161 (E_RNA)
where:
Base-Base interactions energy: -37.485
where: short stacking energy: -26.185
Base-Backbone interact. energy: 0.605
local terms energy: -53.931715
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -7.290
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: 7, replica: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -95.116396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.116396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.116396 (E_RNA)
where:
Base-Base interactions energy: -49.244
where: short stacking energy: -30.936
Base-Backbone interact. energy: -0.334
local terms energy: -45.538759
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -2.478
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: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -86.011799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.011799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.011799 (E_RNA)
where:
Base-Base interactions energy: -30.391
where: short stacking energy: -30.217
Base-Backbone interact. energy: -0.082
local terms energy: -55.538403
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -1.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -76.212440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.212440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.212440 (E_RNA)
where:
Base-Base interactions energy: -23.103
where: short stacking energy: -23.103
Base-Backbone interact. energy: -0.323
local terms energy: -52.786807
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -0.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -74.881875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.881875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.881875 (E_RNA)
where:
Base-Base interactions energy: -29.252
where: short stacking energy: -27.088
Base-Backbone interact. energy: -0.214
local terms energy: -45.415295
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -10.498
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -206.016638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.016638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.016638 (E_RNA)
where:
Base-Base interactions energy: -131.771
where: short stacking energy: -52.881
Base-Backbone interact. energy: -0.105
local terms energy: -74.141102
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -15.830
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: 8
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -207.323361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.323361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.323361 (E_RNA)
where:
Base-Base interactions energy: -136.083
where: short stacking energy: -60.958
Base-Backbone interact. energy: -0.860
local terms energy: -70.380892
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -14.700
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: 3, replica: 1
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -183.625047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.625047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.625047 (E_RNA)
where:
Base-Base interactions energy: -120.774
where: short stacking energy: -51.897
Base-Backbone interact. energy: -0.372
local terms energy: -62.479545
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -191.655179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.655179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.655179 (E_RNA)
where:
Base-Base interactions energy: -125.389
where: short stacking energy: -58.006
Base-Backbone interact. energy: -0.277
local terms energy: -65.989023
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -98.485399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.485399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.485399 (E_RNA)
where:
Base-Base interactions energy: -45.301
where: short stacking energy: -34.689
Base-Backbone interact. energy: 1.613
local terms energy: -54.797573
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -7.711
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: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -84.961272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.961272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.961272 (E_RNA)
where:
Base-Base interactions energy: -27.879
where: short stacking energy: -27.879
Base-Backbone interact. energy: 0.173
local terms energy: -57.255158
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -8.191
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: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -105.190475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.190475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.190475 (E_RNA)
where:
Base-Base interactions energy: -52.490
where: short stacking energy: -35.960
Base-Backbone interact. energy: -0.165
local terms energy: -52.536066
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -9.283
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: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -82.782480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.782480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.782480 (E_RNA)
where:
Base-Base interactions energy: -34.136
where: short stacking energy: -23.265
Base-Backbone interact. energy: -0.059
local terms energy: -48.586613
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: 0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -76.401392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.401392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.401392 (E_RNA)
where:
Base-Base interactions energy: -15.429
where: short stacking energy: -15.429
Base-Backbone interact. energy: -0.068
local terms energy: -60.904306
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -10.560
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: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -75.882928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.882928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.882928 (E_RNA)
where:
Base-Base interactions energy: -30.269
where: short stacking energy: -26.983
Base-Backbone interact. energy: -0.128
local terms energy: -45.485172
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -8.774
flat angles P-C4'-P energy: -5.134
tors. eta vs tors. theta energy: -2.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -201.624959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.624959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.624959 (E_RNA)
where:
Base-Base interactions energy: -132.004
where: short stacking energy: -60.018
Base-Backbone interact. energy: -0.802
local terms energy: -68.819273
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -188.504705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.504705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.504705 (E_RNA)
where:
Base-Base interactions energy: -125.660
where: short stacking energy: -47.791
Base-Backbone interact. energy: -0.072
local terms energy: -62.772484
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -10.980
flat angles P-C4'-P energy: -9.257
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -202.645553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.645553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645553 (E_RNA)
where:
Base-Base interactions energy: -127.233
where: short stacking energy: -55.326
Base-Backbone interact. energy: -1.013
local terms energy: -74.399869
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -16.471
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: 73
Temperature: 1.050000
Total energy: -181.918749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.918749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.918749 (E_RNA)
where:
Base-Base interactions energy: -116.284
where: short stacking energy: -62.864
Base-Backbone interact. energy: -0.000
local terms energy: -65.634153
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -9.526
tors. eta vs tors. theta energy: -14.372
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: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -86.023002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.023002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.023002 (E_RNA)
where:
Base-Base interactions energy: -32.859
where: short stacking energy: -33.022
Base-Backbone interact. energy: -0.115
local terms energy: -53.048855
where:
bonds (distance) C4'-P energy: -10.752
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -2.842
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: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -97.884269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.884269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.884269 (E_RNA)
where:
Base-Base interactions energy: -38.242
where: short stacking energy: -35.995
Base-Backbone interact. energy: -0.361
local terms energy: -59.281184
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -4.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -98.274616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.274616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.274616 (E_RNA)
where:
Base-Base interactions energy: -36.076
where: short stacking energy: -36.045
Base-Backbone interact. energy: -0.022
local terms energy: -62.176655
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -9.585
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: 73
Temperature: 1.250000
Total energy: -81.841512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.841512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.841512 (E_RNA)
where:
Base-Base interactions energy: -42.819
where: short stacking energy: -21.164
Base-Backbone interact. energy: 0.588
local terms energy: -39.610176
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -8.320
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -2.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -76.929366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.929366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.929366 (E_RNA)
where:
Base-Base interactions energy: -26.022
where: short stacking energy: -26.022
Base-Backbone interact. energy: -0.095
local terms energy: -50.812774
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -7.733
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: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -79.163357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.163357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.163357 (E_RNA)
where:
Base-Base interactions energy: -32.509
where: short stacking energy: -31.395
Base-Backbone interact. energy: -0.103
local terms energy: -46.550834
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -1.999
tors. eta vs tors. theta energy: -2.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -197.489971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.489971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.489971 (E_RNA)
where:
Base-Base interactions energy: -122.577
where: short stacking energy: -59.408
Base-Backbone interact. energy: -0.098
local terms energy: -74.815353
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -18.991
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: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -187.146474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.146474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.146474 (E_RNA)
where:
Base-Base interactions energy: -114.925
where: short stacking energy: -53.616
Base-Backbone interact. energy: -0.612
local terms energy: -71.609501
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -13.622
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: 74
Temperature: 1.000000
Total energy: -197.211517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.211517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.211517 (E_RNA)
where:
Base-Base interactions energy: -124.750
where: short stacking energy: -62.381
Base-Backbone interact. energy: -0.001
local terms energy: -72.460792
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -13.136
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -202.106731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.106731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.106731 (E_RNA)
where:
Base-Base interactions energy: -136.392
where: short stacking energy: -57.009
Base-Backbone interact. energy: 0.937
local terms energy: -66.651062
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -17.039
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: 5, replica: 10
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -136.188681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.188681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.188681 (E_RNA)
where:
Base-Base interactions energy: -71.786
where: short stacking energy: -35.539
Base-Backbone interact. energy: -0.373
local terms energy: -64.029408
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -9.548
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: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -97.150612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.150612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.150612 (E_RNA)
where:
Base-Base interactions energy: -44.015
where: short stacking energy: -28.429
Base-Backbone interact. energy: 1.250
local terms energy: -54.385679
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -4.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -97.089426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.089426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.089426 (E_RNA)
where:
Base-Base interactions energy: -37.279
where: short stacking energy: -36.656
Base-Backbone interact. energy: -0.023
local terms energy: -59.787164
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -11.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -95.306413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.306413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.306413 (E_RNA)
where:
Base-Base interactions energy: -41.476
where: short stacking energy: -33.728
Base-Backbone interact. energy: -0.129
local terms energy: -53.701280
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -9.831
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -77.310703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.310703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.310703 (E_RNA)
where:
Base-Base interactions energy: -27.305
where: short stacking energy: -23.979
Base-Backbone interact. energy: -0.308
local terms energy: -49.697189
where:
bonds (distance) C4'-P energy: -10.985
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -77.142494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.142494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.142494 (E_RNA)
where:
Base-Base interactions energy: -22.800
where: short stacking energy: -18.978
Base-Backbone interact. energy: -0.242
local terms energy: -54.100369
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -201.013125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.013125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.013125 (E_RNA)
where:
Base-Base interactions energy: -121.045
where: short stacking energy: -64.231
Base-Backbone interact. energy: -0.394
local terms energy: -79.574194
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -12.863
tors. eta vs tors. theta energy: -20.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -201.718743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.718743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.718743 (E_RNA)
where:
Base-Base interactions energy: -128.050
where: short stacking energy: -56.393
Base-Backbone interact. energy: -0.144
local terms energy: -73.524483
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -182.799956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.799956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.799956 (E_RNA)
where:
Base-Base interactions energy: -115.344
where: short stacking energy: -47.172
Base-Backbone interact. energy: -0.434
local terms energy: -67.021465
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -193.077490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.077490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.077490 (E_RNA)
where:
Base-Base interactions energy: -119.296
where: short stacking energy: -56.271
Base-Backbone interact. energy: 0.924
local terms energy: -74.704629
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -136.448908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.448908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.448908 (E_RNA)
where:
Base-Base interactions energy: -82.046
where: short stacking energy: -42.034
Base-Backbone interact. energy: -0.010
local terms energy: -54.393155
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -11.289
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -7.964
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: 5
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -108.523984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.523984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.523984 (E_RNA)
where:
Base-Base interactions energy: -58.046
where: short stacking energy: -39.483
Base-Backbone interact. energy: 0.911
local terms energy: -51.388004
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -115.900432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.900432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.900432 (E_RNA)
where:
Base-Base interactions energy: -55.859
where: short stacking energy: -31.095
Base-Backbone interact. energy: -0.288
local terms energy: -59.754161
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -83.975369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.975369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.975369 (E_RNA)
where:
Base-Base interactions energy: -32.061
where: short stacking energy: -32.061
Base-Backbone interact. energy: -0.050
local terms energy: -51.863994
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -10.170
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: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -85.087200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.087200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.087200 (E_RNA)
where:
Base-Base interactions energy: -27.720
where: short stacking energy: -22.155
Base-Backbone interact. energy: -0.260
local terms energy: -57.106796
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -85.400235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.400235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.400235 (E_RNA)
where:
Base-Base interactions energy: -22.817
where: short stacking energy: -22.817
Base-Backbone interact. energy: -0.136
local terms energy: -62.447698
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -8.870
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: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -198.914034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.914034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.914034 (E_RNA)
where:
Base-Base interactions energy: -123.333
where: short stacking energy: -61.072
Base-Backbone interact. energy: -0.020
local terms energy: -75.561842
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -16.809
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -13.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -201.427350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.427350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.427350 (E_RNA)
where:
Base-Base interactions energy: -120.078
where: short stacking energy: -60.902
Base-Backbone interact. energy: -0.645
local terms energy: -80.703789
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -17.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -213.985589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.985589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.985589 (E_RNA)
where:
Base-Base interactions energy: -137.753
where: short stacking energy: -62.747
Base-Backbone interact. energy: -0.341
local terms energy: -75.890755
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -10.682
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: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -180.661539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.661539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.661539 (E_RNA)
where:
Base-Base interactions energy: -115.720
where: short stacking energy: -44.795
Base-Backbone interact. energy: -0.121
local terms energy: -64.820348
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -102.373480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.373480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.373480 (E_RNA)
where:
Base-Base interactions energy: -44.483
where: short stacking energy: -43.369
Base-Backbone interact. energy: -0.091
local terms energy: -57.798707
where:
bonds (distance) C4'-P energy: -11.214
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: -12.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -102.740020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.740020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.740020 (E_RNA)
where:
Base-Base interactions energy: -41.348
where: short stacking energy: -35.149
Base-Backbone interact. energy: 0.407
local terms energy: -61.798761
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -9.122
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: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -132.691390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.691390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.691390 (E_RNA)
where:
Base-Base interactions energy: -79.582
where: short stacking energy: -39.211
Base-Backbone interact. energy: -0.097
local terms energy: -53.012119
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -5.213
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: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -76.667829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.667829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.667829 (E_RNA)
where:
Base-Base interactions energy: -27.206
where: short stacking energy: -25.862
Base-Backbone interact. energy: -0.115
local terms energy: -49.346852
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -8.110
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -5.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -88.219607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.219607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.219607 (E_RNA)
where:
Base-Base interactions energy: -37.939
where: short stacking energy: -30.713
Base-Backbone interact. energy: -0.178
local terms energy: -50.102492
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -9.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -78.858236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.858236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.858236 (E_RNA)
where:
Base-Base interactions energy: -24.786
where: short stacking energy: -18.026
Base-Backbone interact. energy: -1.290
local terms energy: -52.782466
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: 2.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -203.785756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.785756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.785756 (E_RNA)
where:
Base-Base interactions energy: -131.032
where: short stacking energy: -66.619
Base-Backbone interact. energy: -0.093
local terms energy: -72.661033
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -18.528
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: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -196.674335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.674335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.674335 (E_RNA)
where:
Base-Base interactions energy: -130.533
where: short stacking energy: -59.593
Base-Backbone interact. energy: -0.078
local terms energy: -66.063287
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -5.828
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -191.915406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.915406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.915406 (E_RNA)
where:
Base-Base interactions energy: -121.092
where: short stacking energy: -61.608
Base-Backbone interact. energy: 0.154
local terms energy: -70.977480
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -15.830
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: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -179.243660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.243660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.243660 (E_RNA)
where:
Base-Base interactions energy: -115.269
where: short stacking energy: -59.493
Base-Backbone interact. energy: -0.592
local terms energy: -63.381941
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -7.416
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: 5, replica: 10
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -111.380343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.380343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.380343 (E_RNA)
where:
Base-Base interactions energy: -63.498
where: short stacking energy: -31.659
Base-Backbone interact. energy: -0.192
local terms energy: -47.689943
where:
bonds (distance) C4'-P energy: -7.815
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -9.631
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: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -121.749015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.749015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.749015 (E_RNA)
where:
Base-Base interactions energy: -68.098
where: short stacking energy: -40.361
Base-Backbone interact. energy: -0.261
local terms energy: -53.390490
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -9.873
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -87.292458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.292458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.292458 (E_RNA)
where:
Base-Base interactions energy: -44.698
where: short stacking energy: -42.930
Base-Backbone interact. energy: -0.785
local terms energy: -41.810179
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -9.134
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: 0.244
tors. eta vs tors. theta energy: -6.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -88.610104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.610104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.610104 (E_RNA)
where:
Base-Base interactions energy: -42.615
where: short stacking energy: -38.541
Base-Backbone interact. energy: -0.174
local terms energy: -45.821120
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -5.037
tors. eta vs tors. theta energy: -5.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -81.709286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.709286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.709286 (E_RNA)
where:
Base-Base interactions energy: -29.062
where: short stacking energy: -24.105
Base-Backbone interact. energy: -0.065
local terms energy: -52.582518
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -9.577
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: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -69.642295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.642295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.642295 (E_RNA)
where:
Base-Base interactions energy: -20.312
where: short stacking energy: -19.030
Base-Backbone interact. energy: 0.331
local terms energy: -49.661065
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -2.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -208.847159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.847159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.847159 (E_RNA)
where:
Base-Base interactions energy: -133.119
where: short stacking energy: -51.904
Base-Backbone interact. energy: -0.140
local terms energy: -75.587952
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -13.504
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: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -208.397386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.397386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.397386 (E_RNA)
where:
Base-Base interactions energy: -133.917
where: short stacking energy: -57.537
Base-Backbone interact. energy: -1.260
local terms energy: -73.220140
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -17.254
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: 78
Temperature: 1.000000
Total energy: -192.993490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.993490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.993490 (E_RNA)
where:
Base-Base interactions energy: -122.510
where: short stacking energy: -57.004
Base-Backbone interact. energy: -0.253
local terms energy: -70.230864
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -14.075
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: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -175.809162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.809162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.809162 (E_RNA)
where:
Base-Base interactions energy: -114.531
where: short stacking energy: -51.927
Base-Backbone interact. energy: -0.110
local terms energy: -61.168123
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -167.820686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.820686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.820686 (E_RNA)
where:
Base-Base interactions energy: -103.155
where: short stacking energy: -54.532
Base-Backbone interact. energy: -0.428
local terms energy: -64.237717
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -97.630977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.630977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.630977 (E_RNA)
where:
Base-Base interactions energy: -38.738
where: short stacking energy: -30.664
Base-Backbone interact. energy: -0.019
local terms energy: -58.874412
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -87.399513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.399513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.399513 (E_RNA)
where:
Base-Base interactions energy: -25.916
where: short stacking energy: -22.013
Base-Backbone interact. energy: 0.543
local terms energy: -62.026315
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -94.659794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.659794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.659794 (E_RNA)
where:
Base-Base interactions energy: -36.799
where: short stacking energy: -34.379
Base-Backbone interact. energy: -0.012
local terms energy: -57.848592
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -8.234
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: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -76.550081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.550081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.550081 (E_RNA)
where:
Base-Base interactions energy: -26.641
where: short stacking energy: -26.641
Base-Backbone interact. energy: -0.115
local terms energy: -49.794199
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -5.580
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: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -72.697151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.697151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.697151 (E_RNA)
where:
Base-Base interactions energy: -27.152
where: short stacking energy: -15.979
Base-Backbone interact. energy: -0.084
local terms energy: -45.461610
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -10.766
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: 0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -195.378914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.378914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.378914 (E_RNA)
where:
Base-Base interactions energy: -124.308
where: short stacking energy: -65.500
Base-Backbone interact. energy: -0.016
local terms energy: -71.055597
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.483
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: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -214.858311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.858311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.858311 (E_RNA)
where:
Base-Base interactions energy: -141.218
where: short stacking energy: -51.481
Base-Backbone interact. energy: -0.799
local terms energy: -72.842083
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -6.204
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: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -186.574987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.574987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.574987 (E_RNA)
where:
Base-Base interactions energy: -115.635
where: short stacking energy: -56.530
Base-Backbone interact. energy: -0.065
local terms energy: -70.875749
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -7.827
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -13.801
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: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -150.536726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.536726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.536726 (E_RNA)
where:
Base-Base interactions energy: -89.211
where: short stacking energy: -45.954
Base-Backbone interact. energy: -0.582
local terms energy: -60.743800
where:
bonds (distance) C4'-P energy: -14.100
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -12.442
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -10.137
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: 1
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -175.597688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.597688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.597688 (E_RNA)
where:
Base-Base interactions energy: -105.245
where: short stacking energy: -54.382
Base-Backbone interact. energy: -0.169
local terms energy: -70.183401
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -18.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -153.075493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.075493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.075493 (E_RNA)
where:
Base-Base interactions energy: -99.334
where: short stacking energy: -42.228
Base-Backbone interact. energy: -0.364
local terms energy: -53.377584
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -10.223
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: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -164.572313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.572313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.572313 (E_RNA)
where:
Base-Base interactions energy: -116.963
where: short stacking energy: -47.699
Base-Backbone interact. energy: 1.203
local terms energy: -48.812273
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: 0.253
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: -12.718
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: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -100.866399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.866399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.866399 (E_RNA)
where:
Base-Base interactions energy: -63.207
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.058
local terms energy: -37.601157
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -3.684
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -2.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -81.834338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.834338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.834338 (E_RNA)
where:
Base-Base interactions energy: -30.417
where: short stacking energy: -30.417
Base-Backbone interact. energy: -0.047
local terms energy: -51.370282
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -5.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -73.004418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.004418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.004418 (E_RNA)
where:
Base-Base interactions energy: -26.028
where: short stacking energy: -19.946
Base-Backbone interact. energy: -0.692
local terms energy: -46.283892
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -3.974
tors. eta vs tors. theta energy: -5.739
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: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -214.276453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.276453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.276453 (E_RNA)
where:
Base-Base interactions energy: -140.579
where: short stacking energy: -54.874
Base-Backbone interact. energy: -0.289
local terms energy: -73.408920
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -16.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -188.912332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.912332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.912332 (E_RNA)
where:
Base-Base interactions energy: -119.935
where: short stacking energy: -60.561
Base-Backbone interact. energy: -0.011
local terms energy: -68.966819
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -3.070
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: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -184.907948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.907948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.907948 (E_RNA)
where:
Base-Base interactions energy: -112.801
where: short stacking energy: -54.524
Base-Backbone interact. energy: 0.003
local terms energy: -72.110615
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -124.667857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.667857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.667857 (E_RNA)
where:
Base-Base interactions energy: -68.926
where: short stacking energy: -38.450
Base-Backbone interact. energy: -0.204
local terms energy: -55.537799
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -8.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -150.395135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.395135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.395135 (E_RNA)
where:
Base-Base interactions energy: -92.657
where: short stacking energy: -45.597
Base-Backbone interact. energy: -0.409
local terms energy: -57.328649
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -8.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -155.863965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.863965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.863965 (E_RNA)
where:
Base-Base interactions energy: -87.482
where: short stacking energy: -42.379
Base-Backbone interact. energy: -0.245
local terms energy: -68.137317
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -154.037493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.037493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.037493 (E_RNA)
where:
Base-Base interactions energy: -102.001
where: short stacking energy: -41.559
Base-Backbone interact. energy: 1.175
local terms energy: -53.212085
where:
bonds (distance) C4'-P energy: -10.913
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -6.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -76.932213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.932213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.932213 (E_RNA)
where:
Base-Base interactions energy: -27.021
where: short stacking energy: -25.665
Base-Backbone interact. energy: 0.623
local terms energy: -50.533784
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -77.017149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.017149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.017149 (E_RNA)
where:
Base-Base interactions energy: -28.294
where: short stacking energy: -22.770
Base-Backbone interact. energy: -0.017
local terms energy: -48.706029
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -4.051
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -65.868933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.868933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.868933 (E_RNA)
where:
Base-Base interactions energy: -21.050
where: short stacking energy: -21.050
Base-Backbone interact. energy: -0.080
local terms energy: -44.738824
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -12.058
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -3.095
tors. eta vs tors. theta energy: -1.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -218.544600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.544600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.544600 (E_RNA)
where:
Base-Base interactions energy: -139.588
where: short stacking energy: -52.089
Base-Backbone interact. energy: 0.153
local terms energy: -79.110390
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -10.932
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: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -198.399070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.399070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.399070 (E_RNA)
where:
Base-Base interactions energy: -121.290
where: short stacking energy: -56.887
Base-Backbone interact. energy: -0.002
local terms energy: -77.106402
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -17.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -201.362821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.362821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.362821 (E_RNA)
where:
Base-Base interactions energy: -128.270
where: short stacking energy: -66.445
Base-Backbone interact. energy: 0.312
local terms energy: -73.404188
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -18.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -172.263862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.263862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.263862 (E_RNA)
where:
Base-Base interactions energy: -105.831
where: short stacking energy: -57.426
Base-Backbone interact. energy: -0.124
local terms energy: -66.308841
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -10.488
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -128.694379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.694379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.694379 (E_RNA)
where:
Base-Base interactions energy: -70.317
where: short stacking energy: -31.999
Base-Backbone interact. energy: -0.074
local terms energy: -58.303138
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -11.504
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -9.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -157.006579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.006579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.006579 (E_RNA)
where:
Base-Base interactions energy: -91.447
where: short stacking energy: -50.882
Base-Backbone interact. energy: -0.003
local terms energy: -65.556372
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -13.166
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: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -149.050074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.050074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.050074 (E_RNA)
where:
Base-Base interactions energy: -100.248
where: short stacking energy: -51.367
Base-Backbone interact. energy: -0.032
local terms energy: -48.769590
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -3.984
tors. eta vs tors. theta energy: -8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -91.619061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.619061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.619061 (E_RNA)
where:
Base-Base interactions energy: -48.683
where: short stacking energy: -28.114
Base-Backbone interact. energy: -0.300
local terms energy: -42.635844
where:
bonds (distance) C4'-P energy: -9.690
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -8.855
flat angles P-C4'-P energy: -8.110
tors. eta vs tors. theta energy: -3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -89.347527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.347527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.347527 (E_RNA)
where:
Base-Base interactions energy: -41.628
where: short stacking energy: -18.788
Base-Backbone interact. energy: -0.007
local terms energy: -47.712750
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -8.177
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: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -78.684456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.684456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.684456 (E_RNA)
where:
Base-Base interactions energy: -28.977
where: short stacking energy: -23.306
Base-Backbone interact. energy: -0.287
local terms energy: -49.421038
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -9.292
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -223.483719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.483719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.483719 (E_RNA)
where:
Base-Base interactions energy: -148.759
where: short stacking energy: -65.111
Base-Backbone interact. energy: -0.304
local terms energy: -74.421445
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -18.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -193.164370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.164370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.164370 (E_RNA)
where:
Base-Base interactions energy: -121.714
where: short stacking energy: -58.738
Base-Backbone interact. energy: -0.034
local terms energy: -71.416028
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -165.501569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.501569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.501569 (E_RNA)
where:
Base-Base interactions energy: -99.525
where: short stacking energy: -50.217
Base-Backbone interact. energy: -0.113
local terms energy: -65.863856
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -13.514
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: 3
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -190.303080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.303080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.303080 (E_RNA)
where:
Base-Base interactions energy: -121.170
where: short stacking energy: -54.832
Base-Backbone interact. energy: -0.794
local terms energy: -68.339094
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -17.166
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: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -169.239383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.239383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.239383 (E_RNA)
where:
Base-Base interactions energy: -105.930
where: short stacking energy: -46.203
Base-Backbone interact. energy: 2.682
local terms energy: -65.991140
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -11.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -95.127440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.127440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.127440 (E_RNA)
where:
Base-Base interactions energy: -44.247
where: short stacking energy: -26.408
Base-Backbone interact. energy: -0.189
local terms energy: -50.691368
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -7.548
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -105.464861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.464861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.464861 (E_RNA)
where:
Base-Base interactions energy: -50.593
where: short stacking energy: -33.446
Base-Backbone interact. energy: -0.922
local terms energy: -53.949487
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -5.917
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: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -110.641501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.641501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.641501 (E_RNA)
where:
Base-Base interactions energy: -55.677
where: short stacking energy: -31.653
Base-Backbone interact. energy: 1.923
local terms energy: -56.887238
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -8.472
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: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -79.936077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.936077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.936077 (E_RNA)
where:
Base-Base interactions energy: -29.210
where: short stacking energy: -27.292
Base-Backbone interact. energy: -0.180
local terms energy: -50.545833
where:
bonds (distance) C4'-P energy: -8.041
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -4.772
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: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -73.574947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.574947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.574947 (E_RNA)
where:
Base-Base interactions energy: -30.462
where: short stacking energy: -29.003
Base-Backbone interact. energy: -1.109
local terms energy: -42.004527
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -5.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -215.424228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.424228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.424228 (E_RNA)
where:
Base-Base interactions energy: -147.547
where: short stacking energy: -64.988
Base-Backbone interact. energy: -0.742
local terms energy: -67.135105
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -8.074
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: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -193.548415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.548415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.548415 (E_RNA)
where:
Base-Base interactions energy: -122.285
where: short stacking energy: -52.443
Base-Backbone interact. energy: -0.004
local terms energy: -71.259495
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -10.543
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: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -150.064755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.064755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.064755 (E_RNA)
where:
Base-Base interactions energy: -79.204
where: short stacking energy: -49.395
Base-Backbone interact. energy: -0.781
local terms energy: -70.079223
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -10.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -201.499163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.499163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.499163 (E_RNA)
where:
Base-Base interactions energy: -131.829
where: short stacking energy: -63.096
Base-Backbone interact. energy: -2.791
local terms energy: -66.879234
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -16.451
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: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -166.242173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.242173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.242173 (E_RNA)
where:
Base-Base interactions energy: -104.113
where: short stacking energy: -50.241
Base-Backbone interact. energy: -0.152
local terms energy: -61.976945
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -14.935
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: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -100.622017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.622017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.622017 (E_RNA)
where:
Base-Base interactions energy: -43.172
where: short stacking energy: -31.480
Base-Backbone interact. energy: -0.271
local terms energy: -57.178952
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -6.844
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: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -84.456976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.456976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.456976 (E_RNA)
where:
Base-Base interactions energy: -31.891
where: short stacking energy: -25.177
Base-Backbone interact. energy: 0.411
local terms energy: -52.977064
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: -0.103
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: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -81.089721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.089721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.089721 (E_RNA)
where:
Base-Base interactions energy: -28.583
where: short stacking energy: -20.470
Base-Backbone interact. energy: -0.624
local terms energy: -51.883057
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -101.278959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.278959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.278959 (E_RNA)
where:
Base-Base interactions energy: -59.443
where: short stacking energy: -29.632
Base-Backbone interact. energy: -0.456
local terms energy: -41.380027
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -8.229
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -75.430071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.430071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.430071 (E_RNA)
where:
Base-Base interactions energy: -26.192
where: short stacking energy: -26.192
Base-Backbone interact. energy: -0.063
local terms energy: -49.175227
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -10.662
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -1.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -222.011370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.011370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.011370 (E_RNA)
where:
Base-Base interactions energy: -144.929
where: short stacking energy: -60.094
Base-Backbone interact. energy: -0.875
local terms energy: -76.208012
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -11.118
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: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -198.790761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.790761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.790761 (E_RNA)
where:
Base-Base interactions energy: -127.515
where: short stacking energy: -60.143
Base-Backbone interact. energy: 1.011
local terms energy: -72.287661
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -17.133
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: 3
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -189.626826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.626826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.626826 (E_RNA)
where:
Base-Base interactions energy: -116.348
where: short stacking energy: -61.346
Base-Backbone interact. energy: -0.003
local terms energy: -73.275976
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -13.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -145.926651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.926651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.926651 (E_RNA)
where:
Base-Base interactions energy: -88.259
where: short stacking energy: -48.258
Base-Backbone interact. energy: -0.009
local terms energy: -57.658442
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -7.474
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: 5
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -160.494058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.494058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.494058 (E_RNA)
where:
Base-Base interactions energy: -99.265
where: short stacking energy: -49.640
Base-Backbone interact. energy: -0.447
local terms energy: -60.781432
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -8.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -97.250395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.250395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.250395 (E_RNA)
where:
Base-Base interactions energy: -44.364
where: short stacking energy: -27.330
Base-Backbone interact. energy: -0.339
local terms energy: -52.547858
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -8.492
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -98.018943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.018943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.018943 (E_RNA)
where:
Base-Base interactions energy: -49.330
where: short stacking energy: -34.839
Base-Backbone interact. energy: -0.155
local terms energy: -48.533972
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -4.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -82.381101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.381101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.381101 (E_RNA)
where:
Base-Base interactions energy: -30.742
where: short stacking energy: -30.497
Base-Backbone interact. energy: -0.053
local terms energy: -51.585809
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -3.151
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: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -75.306500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.306500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.306500 (E_RNA)
where:
Base-Base interactions energy: -22.274
where: short stacking energy: -21.263
Base-Backbone interact. energy: -0.600
local terms energy: -52.432741
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -1.661
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: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -71.752528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.752528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.752528 (E_RNA)
where:
Base-Base interactions energy: -25.584
where: short stacking energy: -22.577
Base-Backbone interact. energy: 0.387
local terms energy: -46.555579
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -1.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -208.059778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.059778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.059778 (E_RNA)
where:
Base-Base interactions energy: -146.816
where: short stacking energy: -57.249
Base-Backbone interact. energy: -0.391
local terms energy: -60.852022
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -197.126133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.126133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.126133 (E_RNA)
where:
Base-Base interactions energy: -121.089
where: short stacking energy: -62.646
Base-Backbone interact. energy: -0.010
local terms energy: -76.027408
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.321
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -20.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -188.235849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.235849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.235849 (E_RNA)
where:
Base-Base interactions energy: -117.417
where: short stacking energy: -51.640
Base-Backbone interact. energy: 0.014
local terms energy: -70.833079
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -162.793467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.793467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.793467 (E_RNA)
where:
Base-Base interactions energy: -94.304
where: short stacking energy: -52.074
Base-Backbone interact. energy: 0.444
local terms energy: -68.933467
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -176.360685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.360685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.360685 (E_RNA)
where:
Base-Base interactions energy: -115.959
where: short stacking energy: -55.355
Base-Backbone interact. energy: -0.003
local terms energy: -60.398459
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -13.859
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: 6, replica: 6
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -97.115861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.115861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.115861 (E_RNA)
where:
Base-Base interactions energy: -45.916
where: short stacking energy: -27.016
Base-Backbone interact. energy: -0.161
local terms energy: -51.038853
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -4.978
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: 7, replica: 4
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -94.899449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.899449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.899449 (E_RNA)
where:
Base-Base interactions energy: -37.028
where: short stacking energy: -36.852
Base-Backbone interact. energy: -0.102
local terms energy: -57.769182
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -11.898
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: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -85.521380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.521380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.521380 (E_RNA)
where:
Base-Base interactions energy: -31.931
where: short stacking energy: -29.000
Base-Backbone interact. energy: -0.509
local terms energy: -53.081725
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -89.585348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.585348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.585348 (E_RNA)
where:
Base-Base interactions energy: -39.661
where: short stacking energy: -37.597
Base-Backbone interact. energy: -0.064
local terms energy: -49.860568
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -6.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -73.101182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.101182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.101182 (E_RNA)
where:
Base-Base interactions energy: -27.247
where: short stacking energy: -11.770
Base-Backbone interact. energy: -0.285
local terms energy: -45.569580
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -8.481
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: 0.894
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: 8
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -211.448262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.448262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.448262 (E_RNA)
where:
Base-Base interactions energy: -136.925
where: short stacking energy: -56.553
Base-Backbone interact. energy: -0.254
local terms energy: -74.269408
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -186.860960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.860960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.860960 (E_RNA)
where:
Base-Base interactions energy: -124.451
where: short stacking energy: -63.060
Base-Backbone interact. energy: -0.145
local terms energy: -62.264385
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -15.663
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: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -189.519360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.519360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.519360 (E_RNA)
where:
Base-Base interactions energy: -119.667
where: short stacking energy: -63.158
Base-Backbone interact. energy: 2.091
local terms energy: -71.943920
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -9.694
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: 4, replica: 10
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -160.946698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.946698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.946698 (E_RNA)
where:
Base-Base interactions energy: -93.904
where: short stacking energy: -43.906
Base-Backbone interact. energy: -0.029
local terms energy: -67.013572
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -9.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -179.682305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.682305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.682305 (E_RNA)
where:
Base-Base interactions energy: -108.803
where: short stacking energy: -57.340
Base-Backbone interact. energy: -0.316
local terms energy: -70.562918
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -104.817062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.817062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.817062 (E_RNA)
where:
Base-Base interactions energy: -53.325
where: short stacking energy: -40.859
Base-Backbone interact. energy: -0.672
local terms energy: -50.820525
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -7.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -106.790208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.790208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.790208 (E_RNA)
where:
Base-Base interactions energy: -40.209
where: short stacking energy: -38.476
Base-Backbone interact. energy: -0.050
local terms energy: -66.531340
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -9.976
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: 8, replica: 4
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -91.088392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.088392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.088392 (E_RNA)
where:
Base-Base interactions energy: -37.608
where: short stacking energy: -26.338
Base-Backbone interact. energy: 0.241
local terms energy: -53.721981
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -9.150
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: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -80.943608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.943608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.943608 (E_RNA)
where:
Base-Base interactions energy: -28.847
where: short stacking energy: -27.055
Base-Backbone interact. energy: 0.595
local terms energy: -52.692365
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -3.488
tors. eta vs tors. theta energy: -8.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -75.037642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.037642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.037642 (E_RNA)
where:
Base-Base interactions energy: -22.070
where: short stacking energy: -21.460
Base-Backbone interact. energy: -0.011
local terms energy: -52.956412
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -8.207
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -3.388
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: 8
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -209.573062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.573062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.573062 (E_RNA)
where:
Base-Base interactions energy: -140.888
where: short stacking energy: -55.499
Base-Backbone interact. energy: 1.000
local terms energy: -69.685260
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -196.477560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.477560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.477560 (E_RNA)
where:
Base-Base interactions energy: -123.572
where: short stacking energy: -47.516
Base-Backbone interact. energy: 0.282
local terms energy: -73.188036
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -9.655
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: 3, replica: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -185.247255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.247255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.247255 (E_RNA)
where:
Base-Base interactions energy: -108.876
where: short stacking energy: -53.949
Base-Backbone interact. energy: -0.001
local terms energy: -76.370945
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -15.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -187.122835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.122835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.122835 (E_RNA)
where:
Base-Base interactions energy: -114.532
where: short stacking energy: -64.465
Base-Backbone interact. energy: -0.070
local terms energy: -72.521119
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -18.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -152.620037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.620037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.620037 (E_RNA)
where:
Base-Base interactions energy: -86.990
where: short stacking energy: -54.033
Base-Backbone interact. energy: -0.091
local terms energy: -65.539096
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -12.900
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: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -98.490423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.490423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.490423 (E_RNA)
where:
Base-Base interactions energy: -41.182
where: short stacking energy: -38.400
Base-Backbone interact. energy: -1.302
local terms energy: -56.006227
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -8.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -93.768224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.768224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.768224 (E_RNA)
where:
Base-Base interactions energy: -35.320
where: short stacking energy: -18.780
Base-Backbone interact. energy: -0.240
local terms energy: -58.208351
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -79.511001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.511001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.511001 (E_RNA)
where:
Base-Base interactions energy: -31.220
where: short stacking energy: -29.611
Base-Backbone interact. energy: -0.092
local terms energy: -48.198710
where:
bonds (distance) C4'-P energy: -7.773
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -3.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -80.338024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.338024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.338024 (E_RNA)
where:
Base-Base interactions energy: -27.069
where: short stacking energy: -27.069
Base-Backbone interact. energy: -0.344
local terms energy: -52.924700
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -10.728
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -2.737
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: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -71.712314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.712314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.712314 (E_RNA)
where:
Base-Base interactions energy: -21.005
where: short stacking energy: -20.396
Base-Backbone interact. energy: -0.171
local terms energy: -50.536815
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -8.757
flat angles P-C4'-P energy: -10.871
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: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -217.523260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.523260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.523260 (E_RNA)
where:
Base-Base interactions energy: -141.722
where: short stacking energy: -66.335
Base-Backbone interact. energy: 1.563
local terms energy: -77.364628
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -16.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -195.994464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.994464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.994464 (E_RNA)
where:
Base-Base interactions energy: -124.923
where: short stacking energy: -54.763
Base-Backbone interact. energy: -0.016
local terms energy: -71.054694
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -10.858
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: 3, replica: 3
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -194.392283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.392283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.392283 (E_RNA)
where:
Base-Base interactions energy: -122.701
where: short stacking energy: -53.792
Base-Backbone interact. energy: -1.151
local terms energy: -70.540721
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -11.647
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: 88
Temperature: 1.050000
Total energy: -187.963557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.963557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.963557 (E_RNA)
where:
Base-Base interactions energy: -110.153
where: short stacking energy: -55.330
Base-Backbone interact. energy: -0.537
local terms energy: -77.273953
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -17.529
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: 88
Temperature: 1.100000
Total energy: -135.654821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.654821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.654821 (E_RNA)
where:
Base-Base interactions energy: -84.483
where: short stacking energy: -50.333
Base-Backbone interact. energy: -0.029
local terms energy: -51.142600
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -6.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -112.141387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.141387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.141387 (E_RNA)
where:
Base-Base interactions energy: -55.543
where: short stacking energy: -32.056
Base-Backbone interact. energy: -0.528
local terms energy: -56.069691
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -6.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -86.412003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.412003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.412003 (E_RNA)
where:
Base-Base interactions energy: -28.236
where: short stacking energy: -26.123
Base-Backbone interact. energy: -0.902
local terms energy: -57.273188
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -77.062118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.062118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.062118 (E_RNA)
where:
Base-Base interactions energy: -26.788
where: short stacking energy: -25.990
Base-Backbone interact. energy: -0.196
local terms energy: -50.077733
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -3.783
tors. eta vs tors. theta energy: -3.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -77.899774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.899774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.899774 (E_RNA)
where:
Base-Base interactions energy: -21.272
where: short stacking energy: -20.170
Base-Backbone interact. energy: -0.034
local terms energy: -56.593729
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -11.371
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -7.054
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: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -74.467415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.467415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.467415 (E_RNA)
where:
Base-Base interactions energy: -31.170
where: short stacking energy: -30.119
Base-Backbone interact. energy: -0.127
local terms energy: -43.171081
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -4.107
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -220.993009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.993009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.993009 (E_RNA)
where:
Base-Base interactions energy: -145.732
where: short stacking energy: -62.994
Base-Backbone interact. energy: -0.571
local terms energy: -74.690556
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -18.143
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: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -200.295690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.295690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.295690 (E_RNA)
where:
Base-Base interactions energy: -124.829
where: short stacking energy: -59.570
Base-Backbone interact. energy: -0.243
local terms energy: -75.223628
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -13.292
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: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -203.497867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.497867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.497867 (E_RNA)
where:
Base-Base interactions energy: -129.439
where: short stacking energy: -66.453
Base-Backbone interact. energy: -0.004
local terms energy: -74.055037
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -11.666
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -23.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -201.940371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.940371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.940371 (E_RNA)
where:
Base-Base interactions energy: -134.449
where: short stacking energy: -63.419
Base-Backbone interact. energy: -0.103
local terms energy: -67.388432
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -17.688
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: 89
Temperature: 1.100000
Total energy: -154.038433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.038433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.038433 (E_RNA)
where:
Base-Base interactions energy: -85.967
where: short stacking energy: -49.311
Base-Backbone interact. energy: -0.030
local terms energy: -68.041644
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -88.405309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.405309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.405309 (E_RNA)
where:
Base-Base interactions energy: -33.272
where: short stacking energy: -23.550
Base-Backbone interact. energy: 0.072
local terms energy: -55.205130
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -10.660
tors. eta vs tors. theta energy: 0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -98.446530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.446530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.446530 (E_RNA)
where:
Base-Base interactions energy: -37.678
where: short stacking energy: -37.678
Base-Backbone interact. energy: -0.035
local terms energy: -60.733634
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -7.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -88.766000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.766000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.766000 (E_RNA)
where:
Base-Base interactions energy: -38.650
where: short stacking energy: -38.602
Base-Backbone interact. energy: -0.078
local terms energy: -50.037374
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -10.547
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: 89
Temperature: 1.300000
Total energy: -91.095760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.095760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.095760 (E_RNA)
where:
Base-Base interactions energy: -36.214
where: short stacking energy: -34.618
Base-Backbone interact. energy: -0.283
local terms energy: -54.598891
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -9.502
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -9.699
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: 10, replica: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -75.020526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.020526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.020526 (E_RNA)
where:
Base-Base interactions energy: -23.678
where: short stacking energy: -22.983
Base-Backbone interact. energy: -1.033
local terms energy: -50.309296
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -7.101
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: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -206.426868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.426868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.426868 (E_RNA)
where:
Base-Base interactions energy: -132.989
where: short stacking energy: -68.519
Base-Backbone interact. energy: 0.922
local terms energy: -74.360649
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -12.581
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: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -202.288571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.288571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.288571 (E_RNA)
where:
Base-Base interactions energy: -132.275
where: short stacking energy: -49.137
Base-Backbone interact. energy: -0.211
local terms energy: -69.802186
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -9.939
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: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -203.508990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.508990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.508990 (E_RNA)
where:
Base-Base interactions energy: -129.264
where: short stacking energy: -68.139
Base-Backbone interact. energy: -0.000
local terms energy: -74.244316
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -9.236
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: 4, replica: 2
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -187.163767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.163767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.163767 (E_RNA)
where:
Base-Base interactions energy: -111.975
where: short stacking energy: -59.878
Base-Backbone interact. energy: -0.002
local terms energy: -75.187526
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -16.209
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: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -145.281811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.281811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.281811 (E_RNA)
where:
Base-Base interactions energy: -81.081
where: short stacking energy: -45.132
Base-Backbone interact. energy: 1.839
local terms energy: -66.040171
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -9.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -85.526255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.526255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.526255 (E_RNA)
where:
Base-Base interactions energy: -38.081
where: short stacking energy: -20.386
Base-Backbone interact. energy: -0.103
local terms energy: -47.342258
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -3.923
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -81.864845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.864845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.864845 (E_RNA)
where:
Base-Base interactions energy: -22.364
where: short stacking energy: -21.603
Base-Backbone interact. energy: -0.132
local terms energy: -59.368489
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -1.500
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: 90
Temperature: 1.250000
Total energy: -90.801447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.801447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.801447 (E_RNA)
where:
Base-Base interactions energy: -36.334
where: short stacking energy: -36.634
Base-Backbone interact. energy: -0.113
local terms energy: -54.353748
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -6.719
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: 4
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -73.766018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.766018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.766018 (E_RNA)
where:
Base-Base interactions energy: -27.253
where: short stacking energy: -25.603
Base-Backbone interact. energy: -0.021
local terms energy: -46.491457
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -10.876
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -73.059689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.059689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.059689 (E_RNA)
where:
Base-Base interactions energy: -36.603
where: short stacking energy: -13.869
Base-Backbone interact. energy: 0.189
local terms energy: -36.644898
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -5.658
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: 1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -201.122277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.122277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.122277 (E_RNA)
where:
Base-Base interactions energy: -129.187
where: short stacking energy: -55.031
Base-Backbone interact. energy: -0.101
local terms energy: -71.834796
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -8.611
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: 2, replica: 5
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -204.210025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.210025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.210025 (E_RNA)
where:
Base-Base interactions energy: -124.218
where: short stacking energy: -67.346
Base-Backbone interact. energy: -0.789
local terms energy: -79.202854
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -195.447068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.447068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.447068 (E_RNA)
where:
Base-Base interactions energy: -127.378
where: short stacking energy: -57.231
Base-Backbone interact. energy: -0.053
local terms energy: -68.016004
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -18.789
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: 91
Temperature: 1.050000
Total energy: -175.615295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.615295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.615295 (E_RNA)
where:
Base-Base interactions energy: -116.580
where: short stacking energy: -55.390
Base-Backbone interact. energy: 1.157
local terms energy: -60.192431
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -10.734
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -13.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -154.209667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.209667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.209667 (E_RNA)
where:
Base-Base interactions energy: -86.824
where: short stacking energy: -47.400
Base-Backbone interact. energy: 0.063
local terms energy: -67.448226
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -12.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -88.812829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.812829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.812829 (E_RNA)
where:
Base-Base interactions energy: -33.639
where: short stacking energy: -23.683
Base-Backbone interact. energy: -0.103
local terms energy: -55.070762
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -10.234
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: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -84.939472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.939472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.939472 (E_RNA)
where:
Base-Base interactions energy: -39.900
where: short stacking energy: -31.868
Base-Backbone interact. energy: -2.018
local terms energy: -43.021430
where:
bonds (distance) C4'-P energy: -8.045
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -0.761
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: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -83.292490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.292490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.292490 (E_RNA)
where:
Base-Base interactions energy: -35.317
where: short stacking energy: -25.172
Base-Backbone interact. energy: -0.362
local terms energy: -47.613456
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -13.301
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: 0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -80.955816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.955816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.955816 (E_RNA)
where:
Base-Base interactions energy: -28.030
where: short stacking energy: -28.030
Base-Backbone interact. energy: -0.010
local terms energy: -52.915399
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -2.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -82.035350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.035350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.035350 (E_RNA)
where:
Base-Base interactions energy: -36.841
where: short stacking energy: -27.444
Base-Backbone interact. energy: -0.018
local terms energy: -45.176203
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -6.383
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -3.679
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: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -201.223102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.223102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.223102 (E_RNA)
where:
Base-Base interactions energy: -131.563
where: short stacking energy: -47.769
Base-Backbone interact. energy: -0.217
local terms energy: -69.443331
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -10.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -196.297351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.297351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.297351 (E_RNA)
where:
Base-Base interactions energy: -127.770
where: short stacking energy: -54.264
Base-Backbone interact. energy: -0.713
local terms energy: -67.814128
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -13.257
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: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -198.956265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.956265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.956265 (E_RNA)
where:
Base-Base interactions energy: -131.617
where: short stacking energy: -56.375
Base-Backbone interact. energy: -0.265
local terms energy: -67.073655
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -12.136
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -189.518494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.518494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.518494 (E_RNA)
where:
Base-Base interactions energy: -121.688
where: short stacking energy: -56.499
Base-Backbone interact. energy: -0.037
local terms energy: -67.793727
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -149.424071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.424071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.424071 (E_RNA)
where:
Base-Base interactions energy: -90.232
where: short stacking energy: -48.587
Base-Backbone interact. energy: -0.003
local terms energy: -59.188800
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -10.462
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -104.003230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.003230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.003230 (E_RNA)
where:
Base-Base interactions energy: -52.788
where: short stacking energy: -41.287
Base-Backbone interact. energy: -0.071
local terms energy: -51.143896
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -8.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -88.234162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.234162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.234162 (E_RNA)
where:
Base-Base interactions energy: -28.461
where: short stacking energy: -28.461
Base-Backbone interact. energy: 0.310
local terms energy: -60.083294
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -86.691146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.691146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.691146 (E_RNA)
where:
Base-Base interactions energy: -25.182
where: short stacking energy: -21.884
Base-Backbone interact. energy: -0.117
local terms energy: -61.391399
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -10.423
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: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -89.381431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.381431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.381431 (E_RNA)
where:
Base-Base interactions energy: -46.207
where: short stacking energy: -28.337
Base-Backbone interact. energy: -0.069
local terms energy: -43.106383
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -3.507
tors. eta vs tors. theta energy: 2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -66.124004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.124004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.124004 (E_RNA)
where:
Base-Base interactions energy: -27.537
where: short stacking energy: -19.637
Base-Backbone interact. energy: -0.075
local terms energy: -38.512125
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -9.252
flat angles P-C4'-P energy: -3.168
tors. eta vs tors. theta energy: 1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -207.526911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.526911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.526911 (E_RNA)
where:
Base-Base interactions energy: -130.355
where: short stacking energy: -65.275
Base-Backbone interact. energy: -0.000
local terms energy: -77.171308
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -9.453
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: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -209.100719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.100719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.100719 (E_RNA)
where:
Base-Base interactions energy: -134.707
where: short stacking energy: -56.433
Base-Backbone interact. energy: -0.732
local terms energy: -73.661178
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -13.181
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: 3, replica: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -199.474281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.474281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.474281 (E_RNA)
where:
Base-Base interactions energy: -122.804
where: short stacking energy: -58.928
Base-Backbone interact. energy: -0.132
local terms energy: -76.537715
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -16.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -188.859338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.859338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.859338 (E_RNA)
where:
Base-Base interactions energy: -123.505
where: short stacking energy: -57.575
Base-Backbone interact. energy: -0.036
local terms energy: -65.319183
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -137.974141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.974141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.974141 (E_RNA)
where:
Base-Base interactions energy: -75.192
where: short stacking energy: -53.620
Base-Backbone interact. energy: -0.315
local terms energy: -62.466764
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -6.143
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: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -91.642397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.642397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.642397 (E_RNA)
where:
Base-Base interactions energy: -35.610
where: short stacking energy: -34.457
Base-Backbone interact. energy: 1.355
local terms energy: -57.387800
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -4.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -102.013137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.013137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.013137 (E_RNA)
where:
Base-Base interactions energy: -47.136
where: short stacking energy: -32.726
Base-Backbone interact. energy: 0.010
local terms energy: -54.887050
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -5.691
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: 8, replica: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -100.112991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.112991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.112991 (E_RNA)
where:
Base-Base interactions energy: -43.606
where: short stacking energy: -41.692
Base-Backbone interact. energy: -0.377
local terms energy: -56.130428
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -8.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -78.129694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.129694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.129694 (E_RNA)
where:
Base-Base interactions energy: -24.007
where: short stacking energy: -18.505
Base-Backbone interact. energy: -0.225
local terms energy: -53.898222
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -82.319643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.319643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.319643 (E_RNA)
where:
Base-Base interactions energy: -31.319
where: short stacking energy: -20.913
Base-Backbone interact. energy: 0.219
local terms energy: -51.219127
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -208.832392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.832392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.832392 (E_RNA)
where:
Base-Base interactions energy: -134.388
where: short stacking energy: -57.526
Base-Backbone interact. energy: -0.030
local terms energy: -74.413430
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -16.635
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: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -204.229217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.229217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.229217 (E_RNA)
where:
Base-Base interactions energy: -140.982
where: short stacking energy: -63.585
Base-Backbone interact. energy: 0.355
local terms energy: -63.602574
where:
bonds (distance) C4'-P energy: -10.691
bonds (distance) P-C4' energy: -9.306
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -204.176379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.176379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.176379 (E_RNA)
where:
Base-Base interactions energy: -126.900
where: short stacking energy: -67.641
Base-Backbone interact. energy: -0.190
local terms energy: -77.086035
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -20.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -174.858694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.858694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.858694 (E_RNA)
where:
Base-Base interactions energy: -112.100
where: short stacking energy: -59.289
Base-Backbone interact. energy: -0.550
local terms energy: -62.207856
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -11.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -131.077308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.077308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.077308 (E_RNA)
where:
Base-Base interactions energy: -64.116
where: short stacking energy: -37.108
Base-Backbone interact. energy: -0.389
local terms energy: -66.572219
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -12.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -107.403318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.403318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.403318 (E_RNA)
where:
Base-Base interactions energy: -40.088
where: short stacking energy: -40.088
Base-Backbone interact. energy: -0.083
local terms energy: -67.231849
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -11.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -106.791777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.791777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.791777 (E_RNA)
where:
Base-Base interactions energy: -56.720
where: short stacking energy: -24.058
Base-Backbone interact. energy: -0.485
local terms energy: -49.586103
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -10.418
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -88.857117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.857117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.857117 (E_RNA)
where:
Base-Base interactions energy: -32.918
where: short stacking energy: -17.140
Base-Backbone interact. energy: -0.207
local terms energy: -55.732299
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -0.572
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: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -79.803021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.803021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.803021 (E_RNA)
where:
Base-Base interactions energy: -32.886
where: short stacking energy: -32.521
Base-Backbone interact. energy: -0.159
local terms energy: -46.757910
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -7.498
flat angles P-C4'-P energy: -4.126
tors. eta vs tors. theta energy: -7.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -74.135222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.135222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.135222 (E_RNA)
where:
Base-Base interactions energy: -30.142
where: short stacking energy: -25.355
Base-Backbone interact. energy: -0.183
local terms energy: -43.810607
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -8.069
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: 1, replica: 3
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -201.224723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.224723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.224723 (E_RNA)
where:
Base-Base interactions energy: -126.954
where: short stacking energy: -59.260
Base-Backbone interact. energy: -0.069
local terms energy: -74.202095
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -212.755167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.755167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.755167 (E_RNA)
where:
Base-Base interactions energy: -135.587
where: short stacking energy: -64.066
Base-Backbone interact. energy: -0.267
local terms energy: -76.900926
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -10.145
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: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -187.910854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.910854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.910854 (E_RNA)
where:
Base-Base interactions energy: -117.456
where: short stacking energy: -56.550
Base-Backbone interact. energy: -0.001
local terms energy: -70.453568
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -187.815147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.815147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.815147 (E_RNA)
where:
Base-Base interactions energy: -119.990
where: short stacking energy: -55.220
Base-Backbone interact. energy: -0.005
local terms energy: -67.820071
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.014
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: 5, replica: 10
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -152.722105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.722105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.722105 (E_RNA)
where:
Base-Base interactions energy: -92.240
where: short stacking energy: -54.916
Base-Backbone interact. energy: -0.008
local terms energy: -60.474839
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -11.504
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: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -89.719889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.719889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.719889 (E_RNA)
where:
Base-Base interactions energy: -33.451
where: short stacking energy: -31.565
Base-Backbone interact. energy: -0.192
local terms energy: -56.076986
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -83.926178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.926178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.926178 (E_RNA)
where:
Base-Base interactions energy: -36.151
where: short stacking energy: -26.636
Base-Backbone interact. energy: 1.482
local terms energy: -49.257340
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -11.659
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -4.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -82.748367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.748367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.748367 (E_RNA)
where:
Base-Base interactions energy: -33.119
where: short stacking energy: -25.442
Base-Backbone interact. energy: -1.049
local terms energy: -48.580146
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -11.054
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -85.370035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.370035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.370035 (E_RNA)
where:
Base-Base interactions energy: -40.167
where: short stacking energy: -28.808
Base-Backbone interact. energy: -0.392
local terms energy: -44.810772
where:
bonds (distance) C4'-P energy: -7.492
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -9.035
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: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -82.540906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.540906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.540906 (E_RNA)
where:
Base-Base interactions energy: -32.368
where: short stacking energy: -25.058
Base-Backbone interact. energy: -0.029
local terms energy: -50.143620
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -4.764
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: 8
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -221.421303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.421303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.421303 (E_RNA)
where:
Base-Base interactions energy: -139.217
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.417
local terms energy: -81.787071
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -196.576087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.576087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.576087 (E_RNA)
where:
Base-Base interactions energy: -128.558
where: short stacking energy: -62.102
Base-Backbone interact. energy: -0.068
local terms energy: -67.950289
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -17.660
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: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -189.261556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.261556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.261556 (E_RNA)
where:
Base-Base interactions energy: -118.725
where: short stacking energy: -55.754
Base-Backbone interact. energy: -0.043
local terms energy: -70.492866
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -189.561208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.561208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.561208 (E_RNA)
where:
Base-Base interactions energy: -118.611
where: short stacking energy: -52.026
Base-Backbone interact. energy: -0.034
local terms energy: -70.916550
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -8.677
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: 5, replica: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -147.659869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.659869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.659869 (E_RNA)
where:
Base-Base interactions energy: -85.368
where: short stacking energy: -47.969
Base-Backbone interact. energy: 0.939
local terms energy: -63.230519
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -12.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -111.978984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.978984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.978984 (E_RNA)
where:
Base-Base interactions energy: -59.069
where: short stacking energy: -33.638
Base-Backbone interact. energy: -0.711
local terms energy: -52.198467
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -8.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -85.544460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.544460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.544460 (E_RNA)
where:
Base-Base interactions energy: -28.487
where: short stacking energy: -23.029
Base-Backbone interact. energy: -0.520
local terms energy: -56.537589
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -8.819
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: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -89.719683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.719683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.719683 (E_RNA)
where:
Base-Base interactions energy: -43.700
where: short stacking energy: -30.389
Base-Backbone interact. energy: -0.227
local terms energy: -45.792257
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -12.067
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -92.315654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.315654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.315654 (E_RNA)
where:
Base-Base interactions energy: -33.243
where: short stacking energy: -33.243
Base-Backbone interact. energy: -0.377
local terms energy: -58.695021
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -68.403023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.403023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.403023 (E_RNA)
where:
Base-Base interactions energy: -23.539
where: short stacking energy: -20.727
Base-Backbone interact. energy: -0.051
local terms energy: -44.812142
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -216.311932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.311932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.311932 (E_RNA)
where:
Base-Base interactions energy: -138.335
where: short stacking energy: -60.195
Base-Backbone interact. energy: -0.393
local terms energy: -77.584408
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -198.710663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.710663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.710663 (E_RNA)
where:
Base-Base interactions energy: -132.522
where: short stacking energy: -55.806
Base-Backbone interact. energy: -0.248
local terms energy: -65.939865
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -13.144
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: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -193.720769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.720769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.720769 (E_RNA)
where:
Base-Base interactions energy: -116.425
where: short stacking energy: -58.556
Base-Backbone interact. energy: -0.086
local terms energy: -77.209961
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -9.729
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: 2
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -176.670179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.670179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.670179 (E_RNA)
where:
Base-Base interactions energy: -103.622
where: short stacking energy: -54.185
Base-Backbone interact. energy: -0.067
local terms energy: -72.981726
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -14.362
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: 5, replica: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -92.563980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.563980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.563980 (E_RNA)
where:
Base-Base interactions energy: -42.179
where: short stacking energy: -35.852
Base-Backbone interact. energy: -0.404
local terms energy: -49.981052
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -7.941
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: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -89.173137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.173137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.173137 (E_RNA)
where:
Base-Base interactions energy: -33.543
where: short stacking energy: -23.804
Base-Backbone interact. energy: -0.389
local terms energy: -55.241133
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -107.703007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.703007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.703007 (E_RNA)
where:
Base-Base interactions energy: -55.418
where: short stacking energy: -30.058
Base-Backbone interact. energy: -0.162
local terms energy: -52.123047
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -16.019
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -4.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -93.530515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.530515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.530515 (E_RNA)
where:
Base-Base interactions energy: -32.213
where: short stacking energy: -32.213
Base-Backbone interact. energy: -0.018
local terms energy: -61.299547
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -11.792
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -101.582889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.582889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.582889 (E_RNA)
where:
Base-Base interactions energy: -49.377
where: short stacking energy: -23.071
Base-Backbone interact. energy: 1.306
local terms energy: -53.511855
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -84.781183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.781183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.781183 (E_RNA)
where:
Base-Base interactions energy: -24.704
where: short stacking energy: -23.368
Base-Backbone interact. energy: -0.079
local terms energy: -59.998885
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -2.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -210.238567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.238567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.238567 (E_RNA)
where:
Base-Base interactions energy: -142.661
where: short stacking energy: -61.626
Base-Backbone interact. energy: -0.126
local terms energy: -67.451054
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -5.348
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -207.241695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.241695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.241695 (E_RNA)
where:
Base-Base interactions energy: -135.947
where: short stacking energy: -55.910
Base-Backbone interact. energy: 0.865
local terms energy: -72.159599
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -15.186
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: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -195.078794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.078794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.078794 (E_RNA)
where:
Base-Base interactions energy: -124.015
where: short stacking energy: -55.251
Base-Backbone interact. energy: -1.029
local terms energy: -70.034835
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -184.546445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.546445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.546445 (E_RNA)
where:
Base-Base interactions energy: -115.546
where: short stacking energy: -63.126
Base-Backbone interact. energy: -0.004
local terms energy: -68.996882
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -15.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -101.149634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.149634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.149634 (E_RNA)
where:
Base-Base interactions energy: -45.180
where: short stacking energy: -30.086
Base-Backbone interact. energy: 1.052
local terms energy: -57.021703
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -8.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -97.592292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.592292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.592292 (E_RNA)
where:
Base-Base interactions energy: -40.895
where: short stacking energy: -40.895
Base-Backbone interact. energy: -0.031
local terms energy: -56.666602
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -8.615
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -6.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -88.772383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.772383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.772383 (E_RNA)
where:
Base-Base interactions energy: -33.002
where: short stacking energy: -33.002
Base-Backbone interact. energy: -0.048
local terms energy: -55.722838
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -10.673
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -8.446
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: 8, replica: 4
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -140.821959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.821959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.821959 (E_RNA)
where:
Base-Base interactions energy: -84.766
where: short stacking energy: -43.108
Base-Backbone interact. energy: -0.126
local terms energy: -55.930035
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -11.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -83.196291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.196291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.196291 (E_RNA)
where:
Base-Base interactions energy: -27.404
where: short stacking energy: -24.622
Base-Backbone interact. energy: -0.274
local terms energy: -55.518609
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -5.486
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: 98
Temperature: 1.350000
Total energy: -72.318468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.318468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.318468 (E_RNA)
where:
Base-Base interactions energy: -24.289
where: short stacking energy: -21.954
Base-Backbone interact. energy: -0.324
local terms energy: -47.704745
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -0.932
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: 1, replica: 3
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -207.070437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.070437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.070437 (E_RNA)
where:
Base-Base interactions energy: -135.248
where: short stacking energy: -57.989
Base-Backbone interact. energy: -0.367
local terms energy: -71.455215
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -16.788
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: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -206.994360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.994360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.994360 (E_RNA)
where:
Base-Base interactions energy: -132.808
where: short stacking energy: -58.653
Base-Backbone interact. energy: -0.349
local terms energy: -73.837631
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -16.123
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -13.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -192.273518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.273518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.273518 (E_RNA)
where:
Base-Base interactions energy: -120.603
where: short stacking energy: -56.352
Base-Backbone interact. energy: 0.206
local terms energy: -71.876857
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -181.599642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.599642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.599642 (E_RNA)
where:
Base-Base interactions energy: -110.140
where: short stacking energy: -53.473
Base-Backbone interact. energy: -0.045
local terms energy: -71.414192
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -105.334180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.334180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.334180 (E_RNA)
where:
Base-Base interactions energy: -52.252
where: short stacking energy: -40.394
Base-Backbone interact. energy: -1.343
local terms energy: -51.739423
where:
bonds (distance) C4'-P energy: -9.321
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -6.696
tors. eta vs tors. theta energy: -7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -89.662775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.662775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.662775 (E_RNA)
where:
Base-Base interactions energy: -34.784
where: short stacking energy: -34.784
Base-Backbone interact. energy: -0.029
local terms energy: -54.849871
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -5.610
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: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -110.673840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.673840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.673840 (E_RNA)
where:
Base-Base interactions energy: -60.787
where: short stacking energy: -36.066
Base-Backbone interact. energy: -0.180
local terms energy: -49.707250
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -6.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -83.126697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.126697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.126697 (E_RNA)
where:
Base-Base interactions energy: -24.761
where: short stacking energy: -24.761
Base-Backbone interact. energy: -0.225
local terms energy: -58.140793
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -16.382
flat angles P-C4'-P energy: -6.530
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: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -125.858870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.858870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.858870 (E_RNA)
where:
Base-Base interactions energy: -78.087
where: short stacking energy: -34.896
Base-Backbone interact. energy: -0.104
local terms energy: -47.668111
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -6.172
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: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -82.509000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.509000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.509000 (E_RNA)
where:
Base-Base interactions energy: -35.185
where: short stacking energy: -29.508
Base-Backbone interact. energy: -0.183
local terms energy: -47.141343
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -214.766850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.766850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.766850 (E_RNA)
where:
Base-Base interactions energy: -137.577
where: short stacking energy: -60.058
Base-Backbone interact. energy: -0.706
local terms energy: -76.483404
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -16.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -199.814312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.814312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.814312 (E_RNA)
where:
Base-Base interactions energy: -132.162
where: short stacking energy: -57.738
Base-Backbone interact. energy: -0.144
local terms energy: -67.509011
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -14.948
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: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -176.240539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.240539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.240539 (E_RNA)
where:
Base-Base interactions energy: -110.031
where: short stacking energy: -51.534
Base-Backbone interact. energy: -0.124
local terms energy: -66.085322
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -182.902228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.902228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.902228 (E_RNA)
where:
Base-Base interactions energy: -104.607
where: short stacking energy: -57.064
Base-Backbone interact. energy: -0.387
local terms energy: -77.907731
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -11.223
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: 5, replica: 7
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -99.353514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.353514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.353514 (E_RNA)
where:
Base-Base interactions energy: -42.373
where: short stacking energy: -37.709
Base-Backbone interact. energy: 0.489
local terms energy: -57.469599
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -8.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -88.904934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.904934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.904934 (E_RNA)
where:
Base-Base interactions energy: -32.513
where: short stacking energy: -32.513
Base-Backbone interact. energy: 2.439
local terms energy: -58.830734
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -3.596
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: 9
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -91.406547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.406547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.406547 (E_RNA)
where:
Base-Base interactions energy: -31.323
where: short stacking energy: -28.358
Base-Backbone interact. energy: -0.598
local terms energy: -59.485351
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.599
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: 8, replica: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -89.410564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.410564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.410564 (E_RNA)
where:
Base-Base interactions energy: -38.386
where: short stacking energy: -37.917
Base-Backbone interact. energy: -0.127
local terms energy: -50.898308
where:
bonds (distance) C4'-P energy: -6.817
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -7.462
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: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -97.103553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.103553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.103553 (E_RNA)
where:
Base-Base interactions energy: -53.585
where: short stacking energy: -24.757
Base-Backbone interact. energy: -0.469
local terms energy: -43.049472
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -6.529
flat angles P-C4'-P energy: -5.720
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -82.040767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.040767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.040767 (E_RNA)
where:
Base-Base interactions energy: -32.607
where: short stacking energy: -26.805
Base-Backbone interact. energy: -0.073
local terms energy: -49.360752
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -7.469
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: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -209.926748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.926748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.926748 (E_RNA)
where:
Base-Base interactions energy: -142.336
where: short stacking energy: -61.283
Base-Backbone interact. energy: 2.865
local terms energy: -70.455864
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -16.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -189.375746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.375746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.375746 (E_RNA)
where:
Base-Base interactions energy: -123.666
where: short stacking energy: -59.400
Base-Backbone interact. energy: -0.062
local terms energy: -65.647337
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -197.766394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.766394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.766394 (E_RNA)
where:
Base-Base interactions energy: -131.580
where: short stacking energy: -52.512
Base-Backbone interact. energy: -0.102
local terms energy: -66.084775
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -186.445410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.445410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.445410 (E_RNA)
where:
Base-Base interactions energy: -111.989
where: short stacking energy: -55.413
Base-Backbone interact. energy: -0.002
local terms energy: -74.453714
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -12.323
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: 5, replica: 7
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -100.364016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.364016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.364016 (E_RNA)
where:
Base-Base interactions energy: -40.527
where: short stacking energy: -40.527
Base-Backbone interact. energy: -0.007
local terms energy: -59.830429
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -8.392
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -95.630684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.630684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.630684 (E_RNA)
where:
Base-Base interactions energy: -40.212
where: short stacking energy: -33.957
Base-Backbone interact. energy: 1.207
local terms energy: -56.625178
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -6.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -93.305636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.305636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.305636 (E_RNA)
where:
Base-Base interactions energy: -40.587
where: short stacking energy: -39.608
Base-Backbone interact. energy: -0.042
local terms energy: -52.677104
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -14.158
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -8.570
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: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -88.726360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.726360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.726360 (E_RNA)
where:
Base-Base interactions energy: -34.246
where: short stacking energy: -34.246
Base-Backbone interact. energy: -0.207
local terms energy: -54.274154
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -92.285088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.285088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.285088 (E_RNA)
where:
Base-Base interactions energy: -41.726
where: short stacking energy: -37.651
Base-Backbone interact. energy: -0.256
local terms energy: -50.302571
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -8.372
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -7.994
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: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -79.647687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.647687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.647687 (E_RNA)
where:
Base-Base interactions energy: -40.841
where: short stacking energy: -13.808
Base-Backbone interact. energy: 1.217
local terms energy: -40.023619
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -10.465
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: 1.615
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: 8
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -210.283394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.283394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.283394 (E_RNA)
where:
Base-Base interactions energy: -138.120
where: short stacking energy: -60.541
Base-Backbone interact. energy: -1.101
local terms energy: -71.061779
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -17.596
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: 2, replica: 2
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -194.182043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.182043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.182043 (E_RNA)
where:
Base-Base interactions energy: -121.395
where: short stacking energy: -52.090
Base-Backbone interact. energy: -0.294
local terms energy: -72.492621
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -184.503590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.503590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.503590 (E_RNA)
where:
Base-Base interactions energy: -119.213
where: short stacking energy: -61.638
Base-Backbone interact. energy: -0.769
local terms energy: -64.521704
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -7.702
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -18.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -182.428818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.428818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.428818 (E_RNA)
where:
Base-Base interactions energy: -113.088
where: short stacking energy: -52.966
Base-Backbone interact. energy: -0.431
local terms energy: -68.910267
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -91.836192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.836192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.836192 (E_RNA)
where:
Base-Base interactions energy: -43.885
where: short stacking energy: -27.181
Base-Backbone interact. energy: -0.420
local terms energy: -47.531906
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -1.357
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -97.859088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.859088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.859088 (E_RNA)
where:
Base-Base interactions energy: -39.650
where: short stacking energy: -39.650
Base-Backbone interact. energy: -0.003
local terms energy: -58.205582
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -6.197
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: 4
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -96.038489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.038489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.038489 (E_RNA)
where:
Base-Base interactions energy: -38.980
where: short stacking energy: -38.267
Base-Backbone interact. energy: -0.118
local terms energy: -56.940672
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -3.502
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: 1
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -87.300792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.300792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.300792 (E_RNA)
where:
Base-Base interactions energy: -29.618
where: short stacking energy: -29.617
Base-Backbone interact. energy: -0.118
local terms energy: -57.564329
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -4.708
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: 102
Temperature: 1.300000
Total energy: -79.543509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.543509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.543509 (E_RNA)
where:
Base-Base interactions energy: -32.738
where: short stacking energy: -27.767
Base-Backbone interact. energy: 1.207
local terms energy: -48.011745
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: 0.511
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: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -74.769795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.769795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.769795 (E_RNA)
where:
Base-Base interactions energy: -19.187
where: short stacking energy: -19.112
Base-Backbone interact. energy: -0.393
local terms energy: -55.189351
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -212.775907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.775907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.775907 (E_RNA)
where:
Base-Base interactions energy: -141.212
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.223
local terms energy: -71.340551
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -207.413569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.413569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.413569 (E_RNA)
where:
Base-Base interactions energy: -136.644
where: short stacking energy: -61.448
Base-Backbone interact. energy: -0.387
local terms energy: -70.383077
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -16.141
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: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -194.065049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.065049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.065049 (E_RNA)
where:
Base-Base interactions energy: -124.222
where: short stacking energy: -60.319
Base-Backbone interact. energy: -0.011
local terms energy: -69.832478
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -168.209750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.209750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.209750 (E_RNA)
where:
Base-Base interactions energy: -97.493
where: short stacking energy: -42.726
Base-Backbone interact. energy: -0.250
local terms energy: -70.466408
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -12.754
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: 7
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -122.394336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.394336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.394336 (E_RNA)
where:
Base-Base interactions energy: -57.902
where: short stacking energy: -40.952
Base-Backbone interact. energy: -0.757
local terms energy: -63.734898
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -10.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -91.000367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.000367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.000367 (E_RNA)
where:
Base-Base interactions energy: -34.487
where: short stacking energy: -28.521
Base-Backbone interact. energy: -0.018
local terms energy: -56.496074
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -5.580
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: 7, replica: 9
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -84.705597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.705597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.705597 (E_RNA)
where:
Base-Base interactions energy: -28.833
where: short stacking energy: -28.333
Base-Backbone interact. energy: -0.076
local terms energy: -55.797204
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -4.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -97.387407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.387407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.387407 (E_RNA)
where:
Base-Base interactions energy: -42.325
where: short stacking energy: -23.217
Base-Backbone interact. energy: -0.334
local terms energy: -54.728047
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -9.835
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: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -75.845640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.845640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.845640 (E_RNA)
where:
Base-Base interactions energy: -29.771
where: short stacking energy: -27.065
Base-Backbone interact. energy: 0.984
local terms energy: -47.059222
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -6.839
flat angles P-C4'-P energy: -8.492
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: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -76.283076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.283076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.283076 (E_RNA)
where:
Base-Base interactions energy: -24.343
where: short stacking energy: -24.945
Base-Backbone interact. energy: -0.052
local terms energy: -51.887526
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -222.233949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.233949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.233949 (E_RNA)
where:
Base-Base interactions energy: -149.847
where: short stacking energy: -61.425
Base-Backbone interact. energy: 0.830
local terms energy: -73.217357
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -16.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -189.290664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.290664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.290664 (E_RNA)
where:
Base-Base interactions energy: -120.084
where: short stacking energy: -60.414
Base-Backbone interact. energy: -0.616
local terms energy: -68.591047
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -13.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -165.471670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.471670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.471670 (E_RNA)
where:
Base-Base interactions energy: -100.788
where: short stacking energy: -43.299
Base-Backbone interact. energy: -0.808
local terms energy: -63.875624
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -12.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -185.248945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.248945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.248945 (E_RNA)
where:
Base-Base interactions energy: -115.111
where: short stacking energy: -53.597
Base-Backbone interact. energy: -0.388
local terms energy: -69.750154
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -100.047971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.047971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.047971 (E_RNA)
where:
Base-Base interactions energy: -42.829
where: short stacking energy: -32.949
Base-Backbone interact. energy: -0.205
local terms energy: -57.014169
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -4.149
tors. eta vs tors. theta energy: -6.862
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: 104
Temperature: 1.150000
Total energy: -98.217195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.217195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.217195 (E_RNA)
where:
Base-Base interactions energy: -43.638
where: short stacking energy: -41.627
Base-Backbone interact. energy: -0.523
local terms energy: -54.055619
where:
bonds (distance) C4'-P energy: -7.922
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -8.071
tors. eta vs tors. theta energy: -8.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -90.881016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.881016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.881016 (E_RNA)
where:
Base-Base interactions energy: -41.490
where: short stacking energy: -29.990
Base-Backbone interact. energy: -0.052
local terms energy: -49.338945
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -11.542
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -3.467
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: 6
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -82.151708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.151708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.151708 (E_RNA)
where:
Base-Base interactions energy: -38.579
where: short stacking energy: -30.531
Base-Backbone interact. energy: -0.325
local terms energy: -43.248009
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -6.109
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -1.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -85.567103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.567103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.567103 (E_RNA)
where:
Base-Base interactions energy: -20.799
where: short stacking energy: -20.728
Base-Backbone interact. energy: -0.081
local terms energy: -64.686902
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -3.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -73.582373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.582373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.582373 (E_RNA)
where:
Base-Base interactions energy: -23.169
where: short stacking energy: -21.583
Base-Backbone interact. energy: -0.410
local terms energy: -50.003272
where:
bonds (distance) C4'-P energy: -10.730
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -8.872
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: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -214.902809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.902809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.902809 (E_RNA)
where:
Base-Base interactions energy: -138.282
where: short stacking energy: -56.157
Base-Backbone interact. energy: -0.354
local terms energy: -76.266749
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -14.812
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: 2, replica: 5
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -196.064796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.064796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.064796 (E_RNA)
where:
Base-Base interactions energy: -122.514
where: short stacking energy: -70.674
Base-Backbone interact. energy: -0.023
local terms energy: -73.528369
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -6.018
tors. eta vs tors. theta energy: -19.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -180.635312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.635312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.635312 (E_RNA)
where:
Base-Base interactions energy: -106.504
where: short stacking energy: -46.237
Base-Backbone interact. energy: -0.272
local terms energy: -73.859328
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -100.318966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.318966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.318966 (E_RNA)
where:
Base-Base interactions energy: -46.504
where: short stacking energy: -33.924
Base-Backbone interact. energy: -0.245
local terms energy: -53.570382
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -8.358
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -2.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -181.134774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.134774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.134774 (E_RNA)
where:
Base-Base interactions energy: -114.805
where: short stacking energy: -46.161
Base-Backbone interact. energy: -0.117
local terms energy: -66.212460
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -92.042018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.042018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.042018 (E_RNA)
where:
Base-Base interactions energy: -35.347
where: short stacking energy: -29.758
Base-Backbone interact. energy: -0.168
local terms energy: -56.526593
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -8.952
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: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -83.288113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.288113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.288113 (E_RNA)
where:
Base-Base interactions energy: -31.218
where: short stacking energy: -26.743
Base-Backbone interact. energy: -0.293
local terms energy: -51.777248
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: 1.814
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: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -101.760012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.760012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.760012 (E_RNA)
where:
Base-Base interactions energy: -44.202
where: short stacking energy: -32.246
Base-Backbone interact. energy: -0.609
local terms energy: -56.949229
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -8.808
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: 105
Temperature: 1.300000
Total energy: -69.696031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.696031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.696031 (E_RNA)
where:
Base-Base interactions energy: -16.662
where: short stacking energy: -10.729
Base-Backbone interact. energy: -0.371
local terms energy: -52.663616
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: 0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -73.213381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.213381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.213381 (E_RNA)
where:
Base-Base interactions energy: -28.749
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.208
local terms energy: -44.255799
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -9.725
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -223.298476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.298476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.298476 (E_RNA)
where:
Base-Base interactions energy: -144.744
where: short stacking energy: -59.957
Base-Backbone interact. energy: -0.736
local terms energy: -77.818555
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -8.212
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: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -199.147247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.147247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.147247 (E_RNA)
where:
Base-Base interactions energy: -125.567
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.448
local terms energy: -73.132200
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -9.571
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: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -185.517874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.517874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.517874 (E_RNA)
where:
Base-Base interactions energy: -116.154
where: short stacking energy: -57.583
Base-Backbone interact. energy: -0.071
local terms energy: -69.293257
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -113.177278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.177278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.177278 (E_RNA)
where:
Base-Base interactions energy: -47.777
where: short stacking energy: -44.648
Base-Backbone interact. energy: -1.190
local terms energy: -64.210204
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -10.362
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: 5, replica: 2
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -171.690546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.690546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.690546 (E_RNA)
where:
Base-Base interactions energy: -109.900
where: short stacking energy: -54.166
Base-Backbone interact. energy: 2.250
local terms energy: -64.041221
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -14.328
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: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -95.934598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.934598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.934598 (E_RNA)
where:
Base-Base interactions energy: -31.584
where: short stacking energy: -31.584
Base-Backbone interact. energy: -0.226
local terms energy: -64.123760
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -89.319254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.319254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.319254 (E_RNA)
where:
Base-Base interactions energy: -34.758
where: short stacking energy: -33.792
Base-Backbone interact. energy: -0.279
local terms energy: -54.282988
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -8.420
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: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -91.475005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.475005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.475005 (E_RNA)
where:
Base-Base interactions energy: -38.398
where: short stacking energy: -27.581
Base-Backbone interact. energy: -0.171
local terms energy: -52.905483
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -7.085
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -82.250028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.250028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.250028 (E_RNA)
where:
Base-Base interactions energy: -29.166
where: short stacking energy: -28.942
Base-Backbone interact. energy: -0.118
local terms energy: -52.966720
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -1.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -81.813238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.813238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.813238 (E_RNA)
where:
Base-Base interactions energy: -35.783
where: short stacking energy: -32.251
Base-Backbone interact. energy: -0.281
local terms energy: -45.749116
where:
bonds (distance) C4'-P energy: -7.673
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -3.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -212.997511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.997511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.997511 (E_RNA)
where:
Base-Base interactions energy: -138.685
where: short stacking energy: -53.496
Base-Backbone interact. energy: -0.769
local terms energy: -73.543789
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -8.580
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: 2, replica: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -200.591597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.591597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.591597 (E_RNA)
where:
Base-Base interactions energy: -120.439
where: short stacking energy: -58.034
Base-Backbone interact. energy: -0.346
local terms energy: -79.807139
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -198.515987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.515987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.515987 (E_RNA)
where:
Base-Base interactions energy: -133.633
where: short stacking energy: -55.843
Base-Backbone interact. energy: -0.894
local terms energy: -63.989672
where:
bonds (distance) C4'-P energy: -8.372
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -178.920267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.920267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.920267 (E_RNA)
where:
Base-Base interactions energy: -106.530
where: short stacking energy: -48.787
Base-Backbone interact. energy: -0.115
local terms energy: -72.274999
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -105.708410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.708410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.708410 (E_RNA)
where:
Base-Base interactions energy: -47.264
where: short stacking energy: -43.428
Base-Backbone interact. energy: -0.209
local terms energy: -58.235560
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -11.202
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -11.573
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: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -85.392574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.392574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.392574 (E_RNA)
where:
Base-Base interactions energy: -27.824
where: short stacking energy: -23.315
Base-Backbone interact. energy: 1.081
local terms energy: -58.649634
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -10.477
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: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -94.263738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.263738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.263738 (E_RNA)
where:
Base-Base interactions energy: -38.612
where: short stacking energy: -37.641
Base-Backbone interact. energy: -0.118
local terms energy: -55.533980
where:
bonds (distance) C4'-P energy: -7.866
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -81.088032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.088032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.088032 (E_RNA)
where:
Base-Base interactions energy: -34.481
where: short stacking energy: -30.952
Base-Backbone interact. energy: -0.067
local terms energy: -46.539300
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -10.437
flat angles P-C4'-P energy: -1.844
tors. eta vs tors. theta energy: -2.012
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: 107
Temperature: 1.300000
Total energy: -102.017862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.017862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.017862 (E_RNA)
where:
Base-Base interactions energy: -45.190
where: short stacking energy: -42.730
Base-Backbone interact. energy: -0.104
local terms energy: -56.724047
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -8.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -69.855822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.855822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.855822 (E_RNA)
where:
Base-Base interactions energy: -29.887
where: short stacking energy: -29.185
Base-Backbone interact. energy: -0.124
local terms energy: -39.845181
where:
bonds (distance) C4'-P energy: -5.414
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -7.382
tors. eta vs tors. theta energy: -3.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -203.305009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.305009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.305009 (E_RNA)
where:
Base-Base interactions energy: -130.175
where: short stacking energy: -69.628
Base-Backbone interact. energy: -0.008
local terms energy: -73.121285
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -10.509
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: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -211.466974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.466974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.466974 (E_RNA)
where:
Base-Base interactions energy: -136.948
where: short stacking energy: -58.879
Base-Backbone interact. energy: -1.441
local terms energy: -73.078247
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -172.374381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.374381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.374381 (E_RNA)
where:
Base-Base interactions energy: -108.608
where: short stacking energy: -52.346
Base-Backbone interact. energy: -0.005
local terms energy: -63.761183
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -11.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -186.192778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.192778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.192778 (E_RNA)
where:
Base-Base interactions energy: -111.311
where: short stacking energy: -65.833
Base-Backbone interact. energy: -0.008
local terms energy: -74.872922
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -9.073
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: 10
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -94.224378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.224378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.224378 (E_RNA)
where:
Base-Base interactions energy: -37.085
where: short stacking energy: -36.383
Base-Backbone interact. energy: -0.016
local terms energy: -57.123420
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -5.119
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: 4
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -102.708698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.708698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.708698 (E_RNA)
where:
Base-Base interactions energy: -49.318
where: short stacking energy: -43.489
Base-Backbone interact. energy: -0.692
local terms energy: -52.698818
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -5.654
tors. eta vs tors. theta energy: -6.487
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: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -80.758896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.758896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.758896 (E_RNA)
where:
Base-Base interactions energy: -28.253
where: short stacking energy: -27.364
Base-Backbone interact. energy: 1.971
local terms energy: -54.477668
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -91.195341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.195341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.195341 (E_RNA)
where:
Base-Base interactions energy: -38.088
where: short stacking energy: -34.662
Base-Backbone interact. energy: -0.011
local terms energy: -53.096875
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -3.465
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: 7
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -78.368926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.368926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.368926 (E_RNA)
where:
Base-Base interactions energy: -42.049
where: short stacking energy: -8.556
Base-Backbone interact. energy: 2.103
local terms energy: -38.422838
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: 6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -75.545271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.545271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.545271 (E_RNA)
where:
Base-Base interactions energy: -27.953
where: short stacking energy: -25.168
Base-Backbone interact. energy: -0.222
local terms energy: -47.369835
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -7.730
flat angles P-C4'-P energy: -6.604
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: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -204.645889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.645889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.645889 (E_RNA)
where:
Base-Base interactions energy: -128.392
where: short stacking energy: -70.588
Base-Backbone interact. energy: -0.000
local terms energy: -76.253620
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -182.277464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.277464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.277464 (E_RNA)
where:
Base-Base interactions energy: -114.420
where: short stacking energy: -53.499
Base-Backbone interact. energy: -0.499
local terms energy: -67.358611
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -15.008
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: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -199.378942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.378942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.378942 (E_RNA)
where:
Base-Base interactions energy: -130.109
where: short stacking energy: -58.137
Base-Backbone interact. energy: 0.171
local terms energy: -69.440529
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -180.071496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.071496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.071496 (E_RNA)
where:
Base-Base interactions energy: -111.005
where: short stacking energy: -55.325
Base-Backbone interact. energy: -0.000
local terms energy: -69.065779
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -102.185160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.185160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.185160 (E_RNA)
where:
Base-Base interactions energy: -45.205
where: short stacking energy: -24.296
Base-Backbone interact. energy: -0.029
local terms energy: -56.950819
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -8.311
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: 6, replica: 9
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -98.051877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.051877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.051877 (E_RNA)
where:
Base-Base interactions energy: -39.322
where: short stacking energy: -39.322
Base-Backbone interact. energy: -0.026
local terms energy: -58.704459
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -96.665036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.665036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.665036 (E_RNA)
where:
Base-Base interactions energy: -34.619
where: short stacking energy: -34.619
Base-Backbone interact. energy: -0.012
local terms energy: -62.033505
where:
bonds (distance) C4'-P energy: -11.769
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -9.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -80.358497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.358497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.358497 (E_RNA)
where:
Base-Base interactions energy: -25.998
where: short stacking energy: -24.311
Base-Backbone interact. energy: -0.685
local terms energy: -53.675127
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -1.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -76.501180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.501180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.501180 (E_RNA)
where:
Base-Base interactions energy: -33.627
where: short stacking energy: -29.735
Base-Backbone interact. energy: 0.087
local terms energy: -42.960855
where:
bonds (distance) C4'-P energy: -3.117
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -77.452489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.452489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.452489 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -37.237
Base-Backbone interact. energy: -0.132
local terms energy: -40.083702
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -9.479
flat angles C4'-P-C4' energy: -8.024
flat angles P-C4'-P energy: -7.744
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: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -201.276092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.276092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.276092 (E_RNA)
where:
Base-Base interactions energy: -124.135
where: short stacking energy: -70.061
Base-Backbone interact. energy: -0.028
local terms energy: -77.112658
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -11.935
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: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -191.432507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.432507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.432507 (E_RNA)
where:
Base-Base interactions energy: -120.047
where: short stacking energy: -59.831
Base-Backbone interact. energy: -0.018
local terms energy: -71.367730
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -201.725552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.725552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.725552 (E_RNA)
where:
Base-Base interactions energy: -132.312
where: short stacking energy: -54.965
Base-Backbone interact. energy: -1.025
local terms energy: -68.388249
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -11.751
tors. eta vs tors. theta energy: -13.412
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: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -194.689377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.689377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.689377 (E_RNA)
where:
Base-Base interactions energy: -125.198
where: short stacking energy: -61.302
Base-Backbone interact. energy: -1.301
local terms energy: -68.190146
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -7.876
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -19.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -102.780279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.780279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.780279 (E_RNA)
where:
Base-Base interactions energy: -40.181
where: short stacking energy: -36.993
Base-Backbone interact. energy: -0.195
local terms energy: -62.404011
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -10.268
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: 6, replica: 10
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -90.829189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.829189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.829189 (E_RNA)
where:
Base-Base interactions energy: -40.222
where: short stacking energy: -35.464
Base-Backbone interact. energy: -0.947
local terms energy: -49.660524
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -4.794
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -86.081330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.081330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.081330 (E_RNA)
where:
Base-Base interactions energy: -32.816
where: short stacking energy: -29.080
Base-Backbone interact. energy: -0.954
local terms energy: -52.311413
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -10.620
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -8.521
tors. eta vs tors. theta energy: -8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -73.473268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.473268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.473268 (E_RNA)
where:
Base-Base interactions energy: -36.020
where: short stacking energy: -18.334
Base-Backbone interact. energy: -0.413
local terms energy: -37.040783
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -9.208
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: 6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -77.291523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.291523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.291523 (E_RNA)
where:
Base-Base interactions energy: -41.967
where: short stacking energy: -25.944
Base-Backbone interact. energy: 2.481
local terms energy: -37.806111
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -11.554
flat angles C4'-P-C4' energy: -5.404
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -4.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -78.634148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.634148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.634148 (E_RNA)
where:
Base-Base interactions energy: -33.566
where: short stacking energy: -27.242
Base-Backbone interact. energy: -0.266
local terms energy: -44.801552
where:
bonds (distance) C4'-P energy: -11.702
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -4.546
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: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -199.311013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.311013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.311013 (E_RNA)
where:
Base-Base interactions energy: -131.265
where: short stacking energy: -65.790
Base-Backbone interact. energy: -0.322
local terms energy: -67.724558
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -2.726
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: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -194.377452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.377452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.377452 (E_RNA)
where:
Base-Base interactions energy: -118.907
where: short stacking energy: -62.229
Base-Backbone interact. energy: -0.697
local terms energy: -74.773227
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -20.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -184.216963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.216963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.216963 (E_RNA)
where:
Base-Base interactions energy: -125.197
where: short stacking energy: -50.101
Base-Backbone interact. energy: -0.499
local terms energy: -58.521435
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -6.662
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: 5
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -186.268139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.268139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.268139 (E_RNA)
where:
Base-Base interactions energy: -116.623
where: short stacking energy: -54.202
Base-Backbone interact. energy: -0.117
local terms energy: -69.528883
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -15.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -109.852856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.852856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.852856 (E_RNA)
where:
Base-Base interactions energy: -50.793
where: short stacking energy: -39.473
Base-Backbone interact. energy: -0.513
local terms energy: -58.546196
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -13.521
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -7.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -115.123154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.123154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.123154 (E_RNA)
where:
Base-Base interactions energy: -58.031
where: short stacking energy: -40.855
Base-Backbone interact. energy: 0.197
local terms energy: -57.289595
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -4.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -93.391171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.391171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.391171 (E_RNA)
where:
Base-Base interactions energy: -36.473
where: short stacking energy: -36.467
Base-Backbone interact. energy: -0.281
local terms energy: -56.637572
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -84.439480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.439480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.439480 (E_RNA)
where:
Base-Base interactions energy: -32.459
where: short stacking energy: -32.459
Base-Backbone interact. energy: -0.015
local terms energy: -51.965165
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -7.746
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: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -79.873886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.873886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.873886 (E_RNA)
where:
Base-Base interactions energy: -31.752
where: short stacking energy: -28.660
Base-Backbone interact. energy: -0.136
local terms energy: -47.986223
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -2.779
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: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -74.534047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.534047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.534047 (E_RNA)
where:
Base-Base interactions energy: -31.339
where: short stacking energy: -28.674
Base-Backbone interact. energy: -0.134
local terms energy: -43.060926
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -9.087
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -5.258
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: 112
Temperature: 0.900000
Total energy: -202.859254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.859254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.859254 (E_RNA)
where:
Base-Base interactions energy: -131.140
where: short stacking energy: -64.409
Base-Backbone interact. energy: -0.002
local terms energy: -71.717321
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -10.492
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -19.205
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: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -193.703999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.703999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.703999 (E_RNA)
where:
Base-Base interactions energy: -117.899
where: short stacking energy: -65.824
Base-Backbone interact. energy: -0.002
local terms energy: -75.803846
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -199.280237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.280237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.280237 (E_RNA)
where:
Base-Base interactions energy: -135.173
where: short stacking energy: -60.496
Base-Backbone interact. energy: -0.309
local terms energy: -63.797845
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -6.336
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -185.350832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.350832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.350832 (E_RNA)
where:
Base-Base interactions energy: -120.176
where: short stacking energy: -46.941
Base-Backbone interact. energy: -0.029
local terms energy: -65.146043
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -107.993706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.993706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.993706 (E_RNA)
where:
Base-Base interactions energy: -55.641
where: short stacking energy: -41.875
Base-Backbone interact. energy: -0.658
local terms energy: -51.694672
where:
bonds (distance) C4'-P energy: -8.080
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: 0.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -109.938780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.938780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.938780 (E_RNA)
where:
Base-Base interactions energy: -53.098
where: short stacking energy: -38.337
Base-Backbone interact. energy: -0.082
local terms energy: -56.758184
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -1.981
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -84.948208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.948208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.948208 (E_RNA)
where:
Base-Base interactions energy: -39.116
where: short stacking energy: -19.163
Base-Backbone interact. energy: 0.205
local terms energy: -46.037653
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -9.941
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: 2.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -91.147027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.147027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.147027 (E_RNA)
where:
Base-Base interactions energy: -38.448
where: short stacking energy: -38.648
Base-Backbone interact. energy: -0.124
local terms energy: -52.574701
where:
bonds (distance) C4'-P energy: -10.934
bonds (distance) P-C4' energy: -10.595
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -5.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -85.647899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.647899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.647899 (E_RNA)
where:
Base-Base interactions energy: -25.522
where: short stacking energy: -25.522
Base-Backbone interact. energy: -0.021
local terms energy: -60.104612
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -10.787
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: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -76.307050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.307050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.307050 (E_RNA)
where:
Base-Base interactions energy: -30.189
where: short stacking energy: -23.847
Base-Backbone interact. energy: -0.110
local terms energy: -46.008687
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -6.716
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -202.594940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.594940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.594940 (E_RNA)
where:
Base-Base interactions energy: -125.802
where: short stacking energy: -60.237
Base-Backbone interact. energy: -0.032
local terms energy: -76.760345
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -18.043
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: 5
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -193.977280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.977280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.977280 (E_RNA)
where:
Base-Base interactions energy: -119.166
where: short stacking energy: -56.355
Base-Backbone interact. energy: -2.140
local terms energy: -72.671483
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -15.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -189.277499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.277499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.277499 (E_RNA)
where:
Base-Base interactions energy: -115.854
where: short stacking energy: -65.833
Base-Backbone interact. energy: -0.023
local terms energy: -73.399902
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -21.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -166.529756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.529756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.529756 (E_RNA)
where:
Base-Base interactions energy: -97.688
where: short stacking energy: -49.982
Base-Backbone interact. energy: -0.104
local terms energy: -68.736933
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -10.337
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: 9
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -130.165669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.165669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.165669 (E_RNA)
where:
Base-Base interactions energy: -65.014
where: short stacking energy: -36.697
Base-Backbone interact. energy: -0.445
local terms energy: -64.707023
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -8.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -90.266442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.266442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.266442 (E_RNA)
where:
Base-Base interactions energy: -41.958
where: short stacking energy: -26.287
Base-Backbone interact. energy: -0.194
local terms energy: -48.114793
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -8.811
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -79.896227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.896227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.896227 (E_RNA)
where:
Base-Base interactions energy: -28.988
where: short stacking energy: -28.988
Base-Backbone interact. energy: -0.106
local terms energy: -50.802204
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -75.890845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.890845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.890845 (E_RNA)
where:
Base-Base interactions energy: -24.810
where: short stacking energy: -13.789
Base-Backbone interact. energy: -0.005
local terms energy: -51.075912
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -13.391
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: 2.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -80.529187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.529187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.529187 (E_RNA)
where:
Base-Base interactions energy: -30.586
where: short stacking energy: -27.657
Base-Backbone interact. energy: -0.153
local terms energy: -49.791101
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -11.336
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -76.163283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.163283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.163283 (E_RNA)
where:
Base-Base interactions energy: -34.200
where: short stacking energy: -13.532
Base-Backbone interact. energy: -0.818
local terms energy: -41.144710
where:
bonds (distance) C4'-P energy: -11.756
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -4.777
tors. eta vs tors. theta energy: 6.133
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: 5
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -189.171156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.171156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.171156 (E_RNA)
where:
Base-Base interactions energy: -116.354
where: short stacking energy: -50.537
Base-Backbone interact. energy: -1.383
local terms energy: -71.433511
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -9.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -186.756810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.756810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.756810 (E_RNA)
where:
Base-Base interactions energy: -113.193
where: short stacking energy: -58.765
Base-Backbone interact. energy: -0.002
local terms energy: -73.561275
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -18.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -185.157697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.157697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.157697 (E_RNA)
where:
Base-Base interactions energy: -120.384
where: short stacking energy: -50.361
Base-Backbone interact. energy: -0.304
local terms energy: -64.469047
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -12.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -163.152960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.152960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.152960 (E_RNA)
where:
Base-Base interactions energy: -105.591
where: short stacking energy: -45.728
Base-Backbone interact. energy: -0.916
local terms energy: -56.645326
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -7.720
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -5.120
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -133.955636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.955636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.955636 (E_RNA)
where:
Base-Base interactions energy: -72.414
where: short stacking energy: -46.765
Base-Backbone interact. energy: -0.078
local terms energy: -61.464125
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -9.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -91.179011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.179011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.179011 (E_RNA)
where:
Base-Base interactions energy: -38.130
where: short stacking energy: -25.978
Base-Backbone interact. energy: -0.270
local terms energy: -52.778953
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -11.969
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -84.590291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.590291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.590291 (E_RNA)
where:
Base-Base interactions energy: -25.834
where: short stacking energy: -25.834
Base-Backbone interact. energy: -0.184
local terms energy: -58.572396
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -74.057748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.057748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.057748 (E_RNA)
where:
Base-Base interactions energy: -22.586
where: short stacking energy: -22.002
Base-Backbone interact. energy: -0.059
local terms energy: -51.412244
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -6.904
tors. eta vs tors. theta energy: -1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -76.306381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.306381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.306381 (E_RNA)
where:
Base-Base interactions energy: -28.714
where: short stacking energy: -22.555
Base-Backbone interact. energy: 0.170
local terms energy: -47.761774
where:
bonds (distance) C4'-P energy: -9.055
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -3.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -81.110522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.110522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.110522 (E_RNA)
where:
Base-Base interactions energy: -25.508
where: short stacking energy: -25.508
Base-Backbone interact. energy: -0.020
local terms energy: -55.582342
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -197.242904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.242904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.242904 (E_RNA)
where:
Base-Base interactions energy: -131.419
where: short stacking energy: -58.612
Base-Backbone interact. energy: -0.265
local terms energy: -65.558816
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -202.743911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.743911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.743911 (E_RNA)
where:
Base-Base interactions energy: -126.176
where: short stacking energy: -60.101
Base-Backbone interact. energy: -0.231
local terms energy: -76.337120
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -186.669042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.669042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.669042 (E_RNA)
where:
Base-Base interactions energy: -122.211
where: short stacking energy: -56.352
Base-Backbone interact. energy: -0.377
local terms energy: -64.081207
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -9.076
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -19.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -162.372941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.372941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.372941 (E_RNA)
where:
Base-Base interactions energy: -101.447
where: short stacking energy: -54.886
Base-Backbone interact. energy: -0.048
local terms energy: -60.878138
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -9.746
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -156.213093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.213093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.213093 (E_RNA)
where:
Base-Base interactions energy: -86.409
where: short stacking energy: -57.880
Base-Backbone interact. energy: -0.067
local terms energy: -69.736911
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -11.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -95.651605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.651605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.651605 (E_RNA)
where:
Base-Base interactions energy: -42.958
where: short stacking energy: -42.225
Base-Backbone interact. energy: -0.061
local terms energy: -52.632892
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -9.590
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -10.610
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: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -88.127176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.127176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.127176 (E_RNA)
where:
Base-Base interactions energy: -38.871
where: short stacking energy: -31.962
Base-Backbone interact. energy: -0.029
local terms energy: -49.227551
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -5.110
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: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -90.082917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.082917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.082917 (E_RNA)
where:
Base-Base interactions energy: -30.941
where: short stacking energy: -22.260
Base-Backbone interact. energy: -0.549
local terms energy: -58.593182
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -4.200
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: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -85.531479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.531479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.531479 (E_RNA)
where:
Base-Base interactions energy: -38.038
where: short stacking energy: -31.381
Base-Backbone interact. energy: -0.209
local terms energy: -47.284292
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -7.437
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: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -79.944191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.944191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.944191 (E_RNA)
where:
Base-Base interactions energy: -25.673
where: short stacking energy: -22.382
Base-Backbone interact. energy: -0.187
local terms energy: -54.083711
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -4.191
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: 116
Temperature: 0.900000
Total energy: -193.508497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.508497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.508497 (E_RNA)
where:
Base-Base interactions energy: -123.725
where: short stacking energy: -49.952
Base-Backbone interact. energy: 0.681
local terms energy: -70.463942
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -9.220
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: 2, replica: 5
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -195.492536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.492536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.492536 (E_RNA)
where:
Base-Base interactions energy: -122.595
where: short stacking energy: -57.451
Base-Backbone interact. energy: -0.111
local terms energy: -72.786968
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -12.863
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: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -183.597473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.597473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.597473 (E_RNA)
where:
Base-Base interactions energy: -114.012
where: short stacking energy: -59.101
Base-Backbone interact. energy: -0.032
local terms energy: -69.553399
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -6.532
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: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -153.048069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.048069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.048069 (E_RNA)
where:
Base-Base interactions energy: -93.733
where: short stacking energy: -39.562
Base-Backbone interact. energy: 0.477
local terms energy: -59.792282
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -13.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -129.594095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.594095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.594095 (E_RNA)
where:
Base-Base interactions energy: -67.493
where: short stacking energy: -34.143
Base-Backbone interact. energy: -0.195
local terms energy: -61.905585
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -9.039
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: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -95.443202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.443202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.443202 (E_RNA)
where:
Base-Base interactions energy: -48.239
where: short stacking energy: -35.117
Base-Backbone interact. energy: -0.042
local terms energy: -47.162239
where:
bonds (distance) C4'-P energy: -5.834
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -94.266146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.266146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.266146 (E_RNA)
where:
Base-Base interactions energy: -31.440
where: short stacking energy: -31.440
Base-Backbone interact. energy: -0.220
local terms energy: -62.606458
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -4.838
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: 8, replica: 10
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -114.951701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.951701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.951701 (E_RNA)
where:
Base-Base interactions energy: -66.215
where: short stacking energy: -39.279
Base-Backbone interact. energy: -0.163
local terms energy: -48.573790
where:
bonds (distance) C4'-P energy: -6.793
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -9.225
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -6.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -79.880408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.880408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.880408 (E_RNA)
where:
Base-Base interactions energy: -23.557
where: short stacking energy: -23.557
Base-Backbone interact. energy: -0.175
local terms energy: -56.148010
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -87.891815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.891815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.891815 (E_RNA)
where:
Base-Base interactions energy: -35.952
where: short stacking energy: -30.054
Base-Backbone interact. energy: -0.183
local terms energy: -51.756727
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -202.101174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.101174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.101174 (E_RNA)
where:
Base-Base interactions energy: -136.794
where: short stacking energy: -62.302
Base-Backbone interact. energy: -0.007
local terms energy: -65.300605
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -193.819550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.819550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.819550 (E_RNA)
where:
Base-Base interactions energy: -130.788
where: short stacking energy: -51.710
Base-Backbone interact. energy: 0.897
local terms energy: -63.928660
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -11.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -188.383525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.383525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.383525 (E_RNA)
where:
Base-Base interactions energy: -111.679
where: short stacking energy: -53.429
Base-Backbone interact. energy: -0.080
local terms energy: -76.624980
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -184.422839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.422839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.422839 (E_RNA)
where:
Base-Base interactions energy: -110.282
where: short stacking energy: -55.457
Base-Backbone interact. energy: -0.197
local terms energy: -73.943258
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -144.318773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.318773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.318773 (E_RNA)
where:
Base-Base interactions energy: -81.394
where: short stacking energy: -38.558
Base-Backbone interact. energy: -0.006
local terms energy: -62.918211
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -8.859
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: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -93.238709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.238709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.238709 (E_RNA)
where:
Base-Base interactions energy: -30.996
where: short stacking energy: -30.996
Base-Backbone interact. energy: 0.371
local terms energy: -62.613817
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -7.333
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: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -95.657927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.657927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.657927 (E_RNA)
where:
Base-Base interactions energy: -38.158
where: short stacking energy: -32.263
Base-Backbone interact. energy: -0.054
local terms energy: -57.445258
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -7.556
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: 117
Temperature: 1.250000
Total energy: -82.734587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.734587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.734587 (E_RNA)
where:
Base-Base interactions energy: -22.744
where: short stacking energy: -22.365
Base-Backbone interact. energy: -0.030
local terms energy: -59.961069
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -7.365
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: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -76.445173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.445173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.445173 (E_RNA)
where:
Base-Base interactions energy: -23.710
where: short stacking energy: -23.710
Base-Backbone interact. energy: -0.677
local terms energy: -52.058137
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -11.604
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -0.488
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: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -74.912076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.912076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.912076 (E_RNA)
where:
Base-Base interactions energy: -31.893
where: short stacking energy: -19.615
Base-Backbone interact. energy: -0.045
local terms energy: -42.973911
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -1.325
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: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -209.643499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.643499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.643499 (E_RNA)
where:
Base-Base interactions energy: -144.754
where: short stacking energy: -60.617
Base-Backbone interact. energy: -0.679
local terms energy: -64.210375
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -12.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -202.983110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.983110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.983110 (E_RNA)
where:
Base-Base interactions energy: -138.303
where: short stacking energy: -59.455
Base-Backbone interact. energy: 0.508
local terms energy: -65.187664
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -13.369
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: 8
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -193.218827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.218827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.218827 (E_RNA)
where:
Base-Base interactions energy: -117.245
where: short stacking energy: -60.749
Base-Backbone interact. energy: -0.038
local terms energy: -75.936376
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -21.317
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: 2
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -179.834747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.834747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.834747 (E_RNA)
where:
Base-Base interactions energy: -110.620
where: short stacking energy: -54.995
Base-Backbone interact. energy: -0.450
local terms energy: -68.764593
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -16.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -164.385468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.385468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.385468 (E_RNA)
where:
Base-Base interactions energy: -105.251
where: short stacking energy: -61.627
Base-Backbone interact. energy: -0.001
local terms energy: -59.132642
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -10.121
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -93.101663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.101663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.101663 (E_RNA)
where:
Base-Base interactions energy: -38.982
where: short stacking energy: -28.277
Base-Backbone interact. energy: -0.207
local terms energy: -53.912486
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -84.298033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.298033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.298033 (E_RNA)
where:
Base-Base interactions energy: -28.344
where: short stacking energy: -28.344
Base-Backbone interact. energy: -0.044
local terms energy: -55.910749
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -6.476
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: 8, replica: 6
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -82.859595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.859595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.859595 (E_RNA)
where:
Base-Base interactions energy: -38.703
where: short stacking energy: -22.496
Base-Backbone interact. energy: -1.817
local terms energy: -42.339554
where:
bonds (distance) C4'-P energy: -8.869
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -9.074
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -81.614844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.614844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.614844 (E_RNA)
where:
Base-Base interactions energy: -27.996
where: short stacking energy: -27.996
Base-Backbone interact. energy: -0.217
local terms energy: -53.401790
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -8.030
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -73.212991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.212991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.212991 (E_RNA)
where:
Base-Base interactions energy: -23.123
where: short stacking energy: -22.730
Base-Backbone interact. energy: -0.012
local terms energy: -50.078216
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -2.929
tors. eta vs tors. theta energy: -6.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -215.723775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.723775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.723775 (E_RNA)
where:
Base-Base interactions energy: -139.860
where: short stacking energy: -57.170
Base-Backbone interact. energy: -0.435
local terms energy: -75.428130
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -204.167703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.167703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.167703 (E_RNA)
where:
Base-Base interactions energy: -138.957
where: short stacking energy: -59.072
Base-Backbone interact. energy: -0.347
local terms energy: -64.863146
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -8.106
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: 119
Temperature: 1.000000
Total energy: -193.192807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.192807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.192807 (E_RNA)
where:
Base-Base interactions energy: -121.886
where: short stacking energy: -56.281
Base-Backbone interact. energy: -0.480
local terms energy: -70.827192
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -16.955
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: 9
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -165.716590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.716590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.716590 (E_RNA)
where:
Base-Base interactions energy: -100.999
where: short stacking energy: -54.297
Base-Backbone interact. energy: -0.539
local terms energy: -64.178082
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -13.642
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: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -177.275738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.275738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.275738 (E_RNA)
where:
Base-Base interactions energy: -109.525
where: short stacking energy: -47.703
Base-Backbone interact. energy: 1.082
local terms energy: -68.833055
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -11.182
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -18.497
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: 1
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -87.069060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.069060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.069060 (E_RNA)
where:
Base-Base interactions energy: -33.961
where: short stacking energy: -33.961
Base-Backbone interact. energy: -0.030
local terms energy: -53.078420
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -7.275
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: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -85.593890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.593890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.593890 (E_RNA)
where:
Base-Base interactions energy: -30.821
where: short stacking energy: -25.027
Base-Backbone interact. energy: -0.183
local terms energy: -54.590463
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -8.443
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: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -95.989453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.989453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.989453 (E_RNA)
where:
Base-Base interactions energy: -42.960
where: short stacking energy: -40.533
Base-Backbone interact. energy: 2.846
local terms energy: -55.875942
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -4.020
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -77.548848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.548848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.548848 (E_RNA)
where:
Base-Base interactions energy: -21.205
where: short stacking energy: -20.108
Base-Backbone interact. energy: -0.461
local terms energy: -55.882919
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -7.045
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: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -73.841341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.841341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.841341 (E_RNA)
where:
Base-Base interactions energy: -26.962
where: short stacking energy: -25.262
Base-Backbone interact. energy: -0.161
local terms energy: -46.718689
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -11.368
flat angles P-C4'-P energy: -4.419
tors. eta vs tors. theta energy: -0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -193.393590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.393590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.393590 (E_RNA)
where:
Base-Base interactions energy: -119.937
where: short stacking energy: -49.067
Base-Backbone interact. energy: -0.002
local terms energy: -73.454927
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -210.619666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.619666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.619666 (E_RNA)
where:
Base-Base interactions energy: -131.017
where: short stacking energy: -65.916
Base-Backbone interact. energy: -0.020
local terms energy: -79.582659
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -198.018240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.018240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.018240 (E_RNA)
where:
Base-Base interactions energy: -127.666
where: short stacking energy: -54.275
Base-Backbone interact. energy: -0.002
local terms energy: -70.350134
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -13.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -170.837013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.837013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.837013 (E_RNA)
where:
Base-Base interactions energy: -103.139
where: short stacking energy: -51.676
Base-Backbone interact. energy: -0.079
local terms energy: -67.619178
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -15.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -169.155597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.155597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.155597 (E_RNA)
where:
Base-Base interactions energy: -106.685
where: short stacking energy: -54.891
Base-Backbone interact. energy: -0.002
local terms energy: -62.468683
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -9.980
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -14.629
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: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -95.894495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.894495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.894495 (E_RNA)
where:
Base-Base interactions energy: -34.119
where: short stacking energy: -34.119
Base-Backbone interact. energy: -0.096
local terms energy: -61.679484
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -10.082
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: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -94.324426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.324426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.324426 (E_RNA)
where:
Base-Base interactions energy: -46.036
where: short stacking energy: -26.766
Base-Backbone interact. energy: 0.364
local terms energy: -48.652298
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -12.931
flat angles C4'-P-C4' energy: -9.412
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -7.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -139.680760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.680760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.680760 (E_RNA)
where:
Base-Base interactions energy: -82.878
where: short stacking energy: -43.138
Base-Backbone interact. energy: -0.647
local terms energy: -56.156529
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -5.564
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: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -74.516241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.516241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.516241 (E_RNA)
where:
Base-Base interactions energy: -26.075
where: short stacking energy: -26.075
Base-Backbone interact. energy: -0.196
local terms energy: -48.245464
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: -12.663
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: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -75.451065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.451065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.451065 (E_RNA)
where:
Base-Base interactions energy: -27.979
where: short stacking energy: -23.483
Base-Backbone interact. energy: -0.029
local terms energy: -47.442435
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -201.042729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.042729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.042729 (E_RNA)
where:
Base-Base interactions energy: -124.089
where: short stacking energy: -68.392
Base-Backbone interact. energy: -0.005
local terms energy: -76.948799
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -16.734
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: 2, replica: 5
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -206.756537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.756537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.756537 (E_RNA)
where:
Base-Base interactions energy: -127.106
where: short stacking energy: -72.192
Base-Backbone interact. energy: -0.003
local terms energy: -79.647950
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -22.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -199.257241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.257241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.257241 (E_RNA)
where:
Base-Base interactions energy: -128.714
where: short stacking energy: -66.891
Base-Backbone interact. energy: -0.000
local terms energy: -70.543525
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -10.782
flat angles P-C4'-P energy: -9.344
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: 2
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -174.790107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.790107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.790107 (E_RNA)
where:
Base-Base interactions energy: -115.536
where: short stacking energy: -55.130
Base-Backbone interact. energy: -0.021
local terms energy: -59.233840
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -13.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -181.688885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.688885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.688885 (E_RNA)
where:
Base-Base interactions energy: -121.414
where: short stacking energy: -55.118
Base-Backbone interact. energy: -0.475
local terms energy: -59.800412
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -15.866
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: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -116.300814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.300814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.300814 (E_RNA)
where:
Base-Base interactions energy: -62.796
where: short stacking energy: -41.834
Base-Backbone interact. energy: -0.037
local terms energy: -53.468792
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -5.859
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: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -83.389218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.389218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.389218 (E_RNA)
where:
Base-Base interactions energy: -28.430
where: short stacking energy: -23.562
Base-Backbone interact. energy: -0.469
local terms energy: -54.490789
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -4.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -141.441724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.441724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.441724 (E_RNA)
where:
Base-Base interactions energy: -81.073
where: short stacking energy: -30.175
Base-Backbone interact. energy: -0.298
local terms energy: -60.070052
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -10.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -80.672907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.672907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.672907 (E_RNA)
where:
Base-Base interactions energy: -32.537
where: short stacking energy: -31.275
Base-Backbone interact. energy: -0.081
local terms energy: -48.054974
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -86.195549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.195549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.195549 (E_RNA)
where:
Base-Base interactions energy: -45.239
where: short stacking energy: -25.589
Base-Backbone interact. energy: -0.168
local terms energy: -40.788549
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -11.245
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -0.536
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -203.972351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.972351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.972351 (E_RNA)
where:
Base-Base interactions energy: -127.674
where: short stacking energy: -66.397
Base-Backbone interact. energy: -0.554
local terms energy: -75.744072
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -20.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -191.341805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.341805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.341805 (E_RNA)
where:
Base-Base interactions energy: -114.232
where: short stacking energy: -55.047
Base-Backbone interact. energy: 0.608
local terms energy: -77.717122
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -17.385
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: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -196.710833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.710833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.710833 (E_RNA)
where:
Base-Base interactions energy: -123.448
where: short stacking energy: -61.769
Base-Backbone interact. energy: -0.006
local terms energy: -73.256702
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -184.547670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.547670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.547670 (E_RNA)
where:
Base-Base interactions energy: -120.108
where: short stacking energy: -59.145
Base-Backbone interact. energy: -0.026
local terms energy: -64.413222
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -174.909546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.909546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.909546 (E_RNA)
where:
Base-Base interactions energy: -111.756
where: short stacking energy: -49.631
Base-Backbone interact. energy: -0.006
local terms energy: -63.147008
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -7.977
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -114.054679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.054679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.054679 (E_RNA)
where:
Base-Base interactions energy: -58.420
where: short stacking energy: -29.369
Base-Backbone interact. energy: -0.076
local terms energy: -55.558760
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -121.190260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.190260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.190260 (E_RNA)
where:
Base-Base interactions energy: -70.629
where: short stacking energy: -42.846
Base-Backbone interact. energy: -0.195
local terms energy: -50.366196
where:
bonds (distance) C4'-P energy: -6.480
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -6.663
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: 122
Temperature: 1.250000
Total energy: -76.931462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.931462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.931462 (E_RNA)
where:
Base-Base interactions energy: -33.585
where: short stacking energy: -29.484
Base-Backbone interact. energy: -0.130
local terms energy: -43.216739
where:
bonds (distance) C4'-P energy: -9.941
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: 0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -92.685825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.685825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.685825 (E_RNA)
where:
Base-Base interactions energy: -43.791
where: short stacking energy: -24.909
Base-Backbone interact. energy: -0.214
local terms energy: -48.680656
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -8.142
flat angles C4'-P-C4' energy: -8.966
flat angles P-C4'-P energy: -5.581
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -78.768693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.768693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.768693 (E_RNA)
where:
Base-Base interactions energy: -31.374
where: short stacking energy: -32.274
Base-Backbone interact. energy: -0.142
local terms energy: -47.252856
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -11.690
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -1.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -196.024285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.024285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.024285 (E_RNA)
where:
Base-Base interactions energy: -121.834
where: short stacking energy: -54.096
Base-Backbone interact. energy: -0.531
local terms energy: -73.659680
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -194.103535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.103535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.103535 (E_RNA)
where:
Base-Base interactions energy: -122.260
where: short stacking energy: -60.884
Base-Backbone interact. energy: -0.069
local terms energy: -71.774067
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -184.242570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.242570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.242570 (E_RNA)
where:
Base-Base interactions energy: -108.482
where: short stacking energy: -55.746
Base-Backbone interact. energy: -0.001
local terms energy: -75.759858
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -172.391347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.391347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.391347 (E_RNA)
where:
Base-Base interactions energy: -112.372
where: short stacking energy: -47.249
Base-Backbone interact. energy: -0.023
local terms energy: -59.996097
where:
bonds (distance) C4'-P energy: -11.109
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.122
flat angles P-C4'-P energy: -7.335
tors. eta vs tors. theta energy: -13.130
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: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -177.968508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.968508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.968508 (E_RNA)
where:
Base-Base interactions energy: -110.976
where: short stacking energy: -48.953
Base-Backbone interact. energy: -0.735
local terms energy: -66.257502
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -158.526726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.526726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.526726 (E_RNA)
where:
Base-Base interactions energy: -98.052
where: short stacking energy: -41.066
Base-Backbone interact. energy: -0.213
local terms energy: -60.262160
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -13.381
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: 4
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -92.564825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.564825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.564825 (E_RNA)
where:
Base-Base interactions energy: -35.939
where: short stacking energy: -29.179
Base-Backbone interact. energy: -0.411
local terms energy: -56.215253
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -11.799
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: 8, replica: 6
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -87.012285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.012285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.012285 (E_RNA)
where:
Base-Base interactions energy: -39.814
where: short stacking energy: -31.463
Base-Backbone interact. energy: -0.649
local terms energy: -46.549982
where:
bonds (distance) C4'-P energy: -7.058
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -94.263004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.263004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.263004 (E_RNA)
where:
Base-Base interactions energy: -50.735
where: short stacking energy: -22.959
Base-Backbone interact. energy: 0.955
local terms energy: -44.482067
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -1.357
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: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -84.148013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.148013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.148013 (E_RNA)
where:
Base-Base interactions energy: -37.848
where: short stacking energy: -24.786
Base-Backbone interact. energy: -0.105
local terms energy: -46.194714
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -5.600
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: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -220.425367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.425367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.425367 (E_RNA)
where:
Base-Base interactions energy: -145.682
where: short stacking energy: -66.457
Base-Backbone interact. energy: -0.157
local terms energy: -74.586602
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -207.936506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.936506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.936506 (E_RNA)
where:
Base-Base interactions energy: -131.748
where: short stacking energy: -72.959
Base-Backbone interact. energy: -0.160
local terms energy: -76.028037
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -21.008
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: 3, replica: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -179.987627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.987627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.987627 (E_RNA)
where:
Base-Base interactions energy: -109.290
where: short stacking energy: -54.449
Base-Backbone interact. energy: -0.007
local terms energy: -70.690510
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -11.186
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: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -172.210430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.210430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.210430 (E_RNA)
where:
Base-Base interactions energy: -116.362
where: short stacking energy: -49.921
Base-Backbone interact. energy: -0.204
local terms energy: -55.644085
where:
bonds (distance) C4'-P energy: -9.390
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -7.230
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: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -173.620814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.620814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.620814 (E_RNA)
where:
Base-Base interactions energy: -99.747
where: short stacking energy: -51.413
Base-Backbone interact. energy: -0.095
local terms energy: -73.778864
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -165.266537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.266537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.266537 (E_RNA)
where:
Base-Base interactions energy: -100.619
where: short stacking energy: -43.091
Base-Backbone interact. energy: -0.510
local terms energy: -64.137783
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -12.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -91.770850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.770850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.770850 (E_RNA)
where:
Base-Base interactions energy: -44.200
where: short stacking energy: -24.849
Base-Backbone interact. energy: 3.811
local terms energy: -51.382794
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -92.013499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.013499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.013499 (E_RNA)
where:
Base-Base interactions energy: -42.720
where: short stacking energy: -22.428
Base-Backbone interact. energy: -0.229
local terms energy: -49.064675
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -84.921988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.921988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.921988 (E_RNA)
where:
Base-Base interactions energy: -32.128
where: short stacking energy: -30.370
Base-Backbone interact. energy: -0.096
local terms energy: -52.697892
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -86.236122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.236122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.236122 (E_RNA)
where:
Base-Base interactions energy: -46.674
where: short stacking energy: -40.341
Base-Backbone interact. energy: -0.284
local terms energy: -39.278200
where:
bonds (distance) C4'-P energy: -8.340
bonds (distance) P-C4' energy: -7.190
flat angles C4'-P-C4' energy: -9.780
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -6.419
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: 125
Temperature: 0.900000
Total energy: -202.122030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.122030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.122030 (E_RNA)
where:
Base-Base interactions energy: -127.449
where: short stacking energy: -61.927
Base-Backbone interact. energy: -0.003
local terms energy: -74.670121
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -6.088
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: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -188.406984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.406984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.406984 (E_RNA)
where:
Base-Base interactions energy: -115.040
where: short stacking energy: -54.284
Base-Backbone interact. energy: -0.880
local terms energy: -72.487203
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -195.111533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.111533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.111533 (E_RNA)
where:
Base-Base interactions energy: -130.601
where: short stacking energy: -61.618
Base-Backbone interact. energy: -0.015
local terms energy: -64.495104
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -10.932
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -13.345
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: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -171.421674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.421674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.421674 (E_RNA)
where:
Base-Base interactions energy: -108.560
where: short stacking energy: -53.711
Base-Backbone interact. energy: -0.057
local terms energy: -62.805433
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -152.301099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.301099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.301099 (E_RNA)
where:
Base-Base interactions energy: -83.769
where: short stacking energy: -35.863
Base-Backbone interact. energy: -0.011
local terms energy: -68.521261
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -12.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -111.708383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.708383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.708383 (E_RNA)
where:
Base-Base interactions energy: -53.835
where: short stacking energy: -30.474
Base-Backbone interact. energy: -0.469
local terms energy: -57.404444
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -7.060
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: 125
Temperature: 1.200000
Total energy: -150.947924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.947924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.947924 (E_RNA)
where:
Base-Base interactions energy: -93.842
where: short stacking energy: -37.625
Base-Backbone interact. energy: -0.050
local terms energy: -57.055519
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -82.690285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.690285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.690285 (E_RNA)
where:
Base-Base interactions energy: -31.953
where: short stacking energy: -21.448
Base-Backbone interact. energy: -0.333
local terms energy: -50.404425
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -5.157
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: 9, replica: 4
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -74.373978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.373978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.373978 (E_RNA)
where:
Base-Base interactions energy: -31.644
where: short stacking energy: -18.520
Base-Backbone interact. energy: -0.170
local terms energy: -42.559431
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -9.773
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: 0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -73.929783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.929783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.929783 (E_RNA)
where:
Base-Base interactions energy: -30.245
where: short stacking energy: -28.995
Base-Backbone interact. energy: -0.030
local terms energy: -43.654975
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -11.076
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -5.321
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: 8
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -204.292149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.292149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.292149 (E_RNA)
where:
Base-Base interactions energy: -136.315
where: short stacking energy: -60.548
Base-Backbone interact. energy: -0.579
local terms energy: -67.397953
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -11.197
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -16.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -206.181062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.181062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.181062 (E_RNA)
where:
Base-Base interactions energy: -142.565
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.027
local terms energy: -63.589200
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -12.281
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: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -180.752539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.752539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.752539 (E_RNA)
where:
Base-Base interactions energy: -110.068
where: short stacking energy: -54.804
Base-Backbone interact. energy: -0.046
local terms energy: -70.638076
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -10.394
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: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -180.207588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.207588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.207588 (E_RNA)
where:
Base-Base interactions energy: -111.037
where: short stacking energy: -61.291
Base-Backbone interact. energy: -0.155
local terms energy: -69.015814
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -6.932
tors. eta vs tors. theta energy: -15.419
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: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -148.057385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.057385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.057385 (E_RNA)
where:
Base-Base interactions energy: -87.814
where: short stacking energy: -36.177
Base-Backbone interact. energy: -0.621
local terms energy: -59.621829
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -91.569761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.569761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.569761 (E_RNA)
where:
Base-Base interactions energy: -41.624
where: short stacking energy: -17.544
Base-Backbone interact. energy: 1.407
local terms energy: -51.352947
where:
bonds (distance) C4'-P energy: -10.458
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -10.880
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: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -124.569076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.569076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.569076 (E_RNA)
where:
Base-Base interactions energy: -72.765
where: short stacking energy: -33.725
Base-Backbone interact. energy: -0.075
local terms energy: -51.729249
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -14.242
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: -5.090
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: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -102.802811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.802811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.802811 (E_RNA)
where:
Base-Base interactions energy: -55.932
where: short stacking energy: -23.682
Base-Backbone interact. energy: -0.175
local terms energy: -46.696529
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -1.285
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: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -87.139827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.139827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.139827 (E_RNA)
where:
Base-Base interactions energy: -30.507
where: short stacking energy: -25.023
Base-Backbone interact. energy: -0.169
local terms energy: -56.463812
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -10.820
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: 10, replica: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -77.154286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.154286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.154286 (E_RNA)
where:
Base-Base interactions energy: -38.698
where: short stacking energy: -26.348
Base-Backbone interact. energy: 0.495
local terms energy: -38.951880
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -4.348
tors. eta vs tors. theta energy: 2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -187.350607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.350607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.350607 (E_RNA)
where:
Base-Base interactions energy: -115.853
where: short stacking energy: -51.392
Base-Backbone interact. energy: -0.019
local terms energy: -71.478949
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -13.828
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: 3
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -195.974710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.974710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.974710 (E_RNA)
where:
Base-Base interactions energy: -128.482
where: short stacking energy: -58.408
Base-Backbone interact. energy: 0.313
local terms energy: -67.805647
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -187.856262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.856262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.856262 (E_RNA)
where:
Base-Base interactions energy: -113.929
where: short stacking energy: -57.843
Base-Backbone interact. energy: -0.168
local terms energy: -73.759156
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -18.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -175.130352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.130352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.130352 (E_RNA)
where:
Base-Base interactions energy: -103.647
where: short stacking energy: -50.526
Base-Backbone interact. energy: -0.060
local terms energy: -71.423162
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -181.001040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.001040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.001040 (E_RNA)
where:
Base-Base interactions energy: -116.135
where: short stacking energy: -52.301
Base-Backbone interact. energy: -0.088
local terms energy: -64.778109
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -10.314
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -15.707
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: 127
Temperature: 1.150000
Total energy: -136.941348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.941348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.941348 (E_RNA)
where:
Base-Base interactions energy: -84.522
where: short stacking energy: -50.951
Base-Backbone interact. energy: -0.609
local terms energy: -51.809889
where:
bonds (distance) C4'-P energy: -8.100
bonds (distance) P-C4' energy: -9.496
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -11.532
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: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -95.950039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.950039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.950039 (E_RNA)
where:
Base-Base interactions energy: -46.996
where: short stacking energy: -22.446
Base-Backbone interact. energy: -0.257
local terms energy: -48.696502
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -0.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -91.321414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.321414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.321414 (E_RNA)
where:
Base-Base interactions energy: -39.078
where: short stacking energy: -33.734
Base-Backbone interact. energy: 0.055
local terms energy: -52.298194
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -85.744690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.744690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.744690 (E_RNA)
where:
Base-Base interactions energy: -41.355
where: short stacking energy: -26.681
Base-Backbone interact. energy: 1.745
local terms energy: -46.134059
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -6.557
flat angles P-C4'-P energy: -7.099
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: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -75.905761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.905761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.905761 (E_RNA)
where:
Base-Base interactions energy: -37.502
where: short stacking energy: -29.707
Base-Backbone interact. energy: 0.705
local terms energy: -39.108430
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -10.081
flat angles P-C4'-P energy: -2.394
tors. eta vs tors. theta energy: -0.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -217.359910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.359910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.359910 (E_RNA)
where:
Base-Base interactions energy: -145.636
where: short stacking energy: -51.830
Base-Backbone interact. energy: -0.223
local terms energy: -71.500510
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -195.068378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.068378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.068378 (E_RNA)
where:
Base-Base interactions energy: -120.980
where: short stacking energy: -62.613
Base-Backbone interact. energy: -0.007
local terms energy: -74.082041
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -178.312009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.312009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.312009 (E_RNA)
where:
Base-Base interactions energy: -109.893
where: short stacking energy: -54.419
Base-Backbone interact. energy: -0.076
local terms energy: -68.342665
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -15.108
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: 5
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -175.714517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.714517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.714517 (E_RNA)
where:
Base-Base interactions energy: -111.515
where: short stacking energy: -51.413
Base-Backbone interact. energy: -0.206
local terms energy: -63.993727
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -13.020
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: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -175.227677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.227677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.227677 (E_RNA)
where:
Base-Base interactions energy: -110.504
where: short stacking energy: -58.124
Base-Backbone interact. energy: -0.370
local terms energy: -64.353988
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -7.089
tors. eta vs tors. theta energy: -16.592
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: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -155.109947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.109947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.109947 (E_RNA)
where:
Base-Base interactions energy: -91.697
where: short stacking energy: -54.821
Base-Backbone interact. energy: -0.386
local terms energy: -63.026266
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -8.622
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -84.018157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.018157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.018157 (E_RNA)
where:
Base-Base interactions energy: -30.938
where: short stacking energy: -24.594
Base-Backbone interact. energy: -0.061
local terms energy: -53.018791
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -7.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -84.231542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.231542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.231542 (E_RNA)
where:
Base-Base interactions energy: -34.483
where: short stacking energy: -34.483
Base-Backbone interact. energy: -0.126
local terms energy: -49.622397
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -77.239963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.239963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.239963 (E_RNA)
where:
Base-Base interactions energy: -30.986
where: short stacking energy: -23.453
Base-Backbone interact. energy: -0.133
local terms energy: -46.120972
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -78.165113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.165113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.165113 (E_RNA)
where:
Base-Base interactions energy: -28.615
where: short stacking energy: -26.331
Base-Backbone interact. energy: -0.042
local terms energy: -49.508879
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -5.284
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -214.993409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.993409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.993409 (E_RNA)
where:
Base-Base interactions energy: -149.382
where: short stacking energy: -49.342
Base-Backbone interact. energy: 0.785
local terms energy: -66.396753
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -196.859904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.859904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.859904 (E_RNA)
where:
Base-Base interactions energy: -124.653
where: short stacking energy: -59.316
Base-Backbone interact. energy: -0.583
local terms energy: -71.623746
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -18.008
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: 3, replica: 8
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -187.479866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.479866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.479866 (E_RNA)
where:
Base-Base interactions energy: -118.329
where: short stacking energy: -63.950
Base-Backbone interact. energy: -0.045
local terms energy: -69.105633
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -14.659
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: 4, replica: 9
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -181.710586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.710586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.710586 (E_RNA)
where:
Base-Base interactions energy: -111.846
where: short stacking energy: -56.042
Base-Backbone interact. energy: -0.009
local terms energy: -69.855904
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -15.923
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: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -166.106031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.106031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.106031 (E_RNA)
where:
Base-Base interactions energy: -105.468
where: short stacking energy: -46.852
Base-Backbone interact. energy: -0.023
local terms energy: -60.615033
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -7.275
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: 6, replica: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -159.397322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.397322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.397322 (E_RNA)
where:
Base-Base interactions energy: -94.019
where: short stacking energy: -43.616
Base-Backbone interact. energy: -0.782
local terms energy: -64.596923
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -11.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -94.557683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.557683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.557683 (E_RNA)
where:
Base-Base interactions energy: -39.702
where: short stacking energy: -35.010
Base-Backbone interact. energy: -0.543
local terms energy: -54.312342
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -3.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -88.429106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.429106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.429106 (E_RNA)
where:
Base-Base interactions energy: -50.116
where: short stacking energy: -26.595
Base-Backbone interact. energy: -0.027
local terms energy: -38.286359
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -12.864
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: 5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -86.682821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.682821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.682821 (E_RNA)
where:
Base-Base interactions energy: -38.992
where: short stacking energy: -22.809
Base-Backbone interact. energy: -0.116
local terms energy: -47.574407
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -6.558
flat angles P-C4'-P energy: -7.853
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: 129
Temperature: 1.350000
Total energy: -73.850814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.850814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.850814 (E_RNA)
where:
Base-Base interactions energy: -25.379
where: short stacking energy: -25.379
Base-Backbone interact. energy: -0.106
local terms energy: -48.366629
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -10.405
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -207.020529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.020529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.020529 (E_RNA)
where:
Base-Base interactions energy: -128.500
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.184
local terms energy: -78.336456
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -16.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -203.381145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.381145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.381145 (E_RNA)
where:
Base-Base interactions energy: -143.182
where: short stacking energy: -54.662
Base-Backbone interact. energy: -0.002
local terms energy: -60.196502
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -13.130
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: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -190.843984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.843984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.843984 (E_RNA)
where:
Base-Base interactions energy: -116.976
where: short stacking energy: -57.162
Base-Backbone interact. energy: -0.069
local terms energy: -73.799464
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -177.966273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.966273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.966273 (E_RNA)
where:
Base-Base interactions energy: -111.768
where: short stacking energy: -54.296
Base-Backbone interact. energy: -0.078
local terms energy: -66.119564
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -11.762
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -22.176
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: 5
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -159.806525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.806525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.806525 (E_RNA)
where:
Base-Base interactions energy: -102.217
where: short stacking energy: -49.384
Base-Backbone interact. energy: -0.137
local terms energy: -57.452389
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -10.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -147.379872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.379872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.379872 (E_RNA)
where:
Base-Base interactions energy: -86.362
where: short stacking energy: -40.402
Base-Backbone interact. energy: 2.469
local terms energy: -63.486986
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -5.769
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: 4
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -86.564835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.564835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.564835 (E_RNA)
where:
Base-Base interactions energy: -31.196
where: short stacking energy: -31.196
Base-Backbone interact. energy: -0.067
local terms energy: -55.302627
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -95.003490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.003490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.003490 (E_RNA)
where:
Base-Base interactions energy: -40.276
where: short stacking energy: -38.807
Base-Backbone interact. energy: -0.059
local terms energy: -54.668152
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -7.391
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: 130
Temperature: 1.300000
Total energy: -82.727223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.727223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.727223 (E_RNA)
where:
Base-Base interactions energy: -28.518
where: short stacking energy: -18.597
Base-Backbone interact. energy: -0.472
local terms energy: -53.736997
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -4.897
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: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -74.520058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.520058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.520058 (E_RNA)
where:
Base-Base interactions energy: -21.964
where: short stacking energy: -21.443
Base-Backbone interact. energy: -0.107
local terms energy: -52.448511
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -5.821
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: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -202.170288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.170288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.170288 (E_RNA)
where:
Base-Base interactions energy: -131.835
where: short stacking energy: -56.178
Base-Backbone interact. energy: -0.564
local terms energy: -69.770948
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -13.534
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -14.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -218.146502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.146502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.146502 (E_RNA)
where:
Base-Base interactions energy: -148.542
where: short stacking energy: -59.925
Base-Backbone interact. energy: 1.062
local terms energy: -70.667213
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -13.644
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: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -194.282663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.282663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.282663 (E_RNA)
where:
Base-Base interactions energy: -126.464
where: short stacking energy: -54.614
Base-Backbone interact. energy: -0.125
local terms energy: -67.693560
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -18.566
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: 5
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -189.019035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.019035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.019035 (E_RNA)
where:
Base-Base interactions energy: -119.003
where: short stacking energy: -62.841
Base-Backbone interact. energy: -0.052
local terms energy: -69.963418
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -16.843
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: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -168.351043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.351043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.351043 (E_RNA)
where:
Base-Base interactions energy: -113.772
where: short stacking energy: -51.434
Base-Backbone interact. energy: -0.153
local terms energy: -54.425633
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -142.382792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.382792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.382792 (E_RNA)
where:
Base-Base interactions energy: -83.603
where: short stacking energy: -37.400
Base-Backbone interact. energy: -0.284
local terms energy: -58.495121
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -7.594
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: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -91.977979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.977979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.977979 (E_RNA)
where:
Base-Base interactions energy: -31.141
where: short stacking energy: -30.809
Base-Backbone interact. energy: -0.308
local terms energy: -60.528857
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: -6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -84.979247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.979247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.979247 (E_RNA)
where:
Base-Base interactions energy: -34.955
where: short stacking energy: -22.042
Base-Backbone interact. energy: -0.248
local terms energy: -49.776034
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -0.052
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: 131
Temperature: 1.300000
Total energy: -73.015512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.015512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.015512 (E_RNA)
where:
Base-Base interactions energy: -29.417
where: short stacking energy: -26.414
Base-Backbone interact. energy: -0.915
local terms energy: -42.684326
where:
bonds (distance) C4'-P energy: -7.128
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -8.284
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -5.493
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: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -75.592778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.592778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.592778 (E_RNA)
where:
Base-Base interactions energy: -36.802
where: short stacking energy: -28.657
Base-Backbone interact. energy: 1.968
local terms energy: -40.759102
where:
bonds (distance) C4'-P energy: -8.558
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -8.557
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -211.900047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.900047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.900047 (E_RNA)
where:
Base-Base interactions energy: -134.916
where: short stacking energy: -63.923
Base-Backbone interact. energy: -0.158
local terms energy: -76.825260
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -17.264
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: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -199.046338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.046338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.046338 (E_RNA)
where:
Base-Base interactions energy: -125.571
where: short stacking energy: -60.486
Base-Backbone interact. energy: 0.206
local terms energy: -73.681372
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -188.998942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.998942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.998942 (E_RNA)
where:
Base-Base interactions energy: -121.420
where: short stacking energy: -49.729
Base-Backbone interact. energy: -0.094
local terms energy: -67.484867
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -186.820930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.820930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.820930 (E_RNA)
where:
Base-Base interactions energy: -124.190
where: short stacking energy: -60.037
Base-Backbone interact. energy: -0.003
local terms energy: -62.627809
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -5.089
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -19.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -154.992275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.992275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.992275 (E_RNA)
where:
Base-Base interactions energy: -87.987
where: short stacking energy: -39.785
Base-Backbone interact. energy: -0.009
local terms energy: -66.996158
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -179.529944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.529944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.529944 (E_RNA)
where:
Base-Base interactions energy: -109.077
where: short stacking energy: -53.524
Base-Backbone interact. energy: -0.050
local terms energy: -70.402312
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -82.387952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.387952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.387952 (E_RNA)
where:
Base-Base interactions energy: -30.976
where: short stacking energy: -30.863
Base-Backbone interact. energy: -0.040
local terms energy: -51.371887
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -0.901
tors. eta vs tors. theta energy: -4.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -87.031469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.031469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.031469 (E_RNA)
where:
Base-Base interactions energy: -28.189
where: short stacking energy: -23.679
Base-Backbone interact. energy: 0.167
local terms energy: -59.010018
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -7.198
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: 132
Temperature: 1.300000
Total energy: -77.981670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.981670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.981670 (E_RNA)
where:
Base-Base interactions energy: -24.804
where: short stacking energy: -24.804
Base-Backbone interact. energy: -0.088
local terms energy: -53.088924
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -7.891
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -70.249585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.249585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.249585 (E_RNA)
where:
Base-Base interactions energy: -21.684
where: short stacking energy: -21.684
Base-Backbone interact. energy: -0.127
local terms energy: -48.438774
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -9.376
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: 0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -206.284604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.284604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.284604 (E_RNA)
where:
Base-Base interactions energy: -131.042
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.017
local terms energy: -75.225250
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -17.168
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -18.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -201.103144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.103144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.103144 (E_RNA)
where:
Base-Base interactions energy: -127.404
where: short stacking energy: -65.959
Base-Backbone interact. energy: -0.178
local terms energy: -73.521108
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -16.700
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: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -179.087361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.087361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.087361 (E_RNA)
where:
Base-Base interactions energy: -115.883
where: short stacking energy: -46.393
Base-Backbone interact. energy: -0.681
local terms energy: -62.523338
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -9.151
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -191.423309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.423309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.423309 (E_RNA)
where:
Base-Base interactions energy: -118.011
where: short stacking energy: -56.387
Base-Backbone interact. energy: -0.078
local terms energy: -73.334989
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -10.758
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: 9
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -181.882026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.882026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.882026 (E_RNA)
where:
Base-Base interactions energy: -111.341
where: short stacking energy: -49.990
Base-Backbone interact. energy: -0.026
local terms energy: -70.515449
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -9.971
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: 6, replica: 7
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -176.811069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.811069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.811069 (E_RNA)
where:
Base-Base interactions energy: -111.939
where: short stacking energy: -46.948
Base-Backbone interact. energy: -0.121
local terms energy: -64.751237
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -95.076133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.076133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.076133 (E_RNA)
where:
Base-Base interactions energy: -37.974
where: short stacking energy: -34.202
Base-Backbone interact. energy: -0.144
local terms energy: -56.957661
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -12.255
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -8.009
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: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -73.837257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.837257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.837257 (E_RNA)
where:
Base-Base interactions energy: -24.140
where: short stacking energy: -21.796
Base-Backbone interact. energy: -0.289
local terms energy: -49.408551
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -73.070136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.070136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.070136 (E_RNA)
where:
Base-Base interactions energy: -23.522
where: short stacking energy: -21.577
Base-Backbone interact. energy: -0.088
local terms energy: -49.460364
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -73.445934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.445934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.445934 (E_RNA)
where:
Base-Base interactions energy: -24.358
where: short stacking energy: -22.627
Base-Backbone interact. energy: 0.039
local terms energy: -49.127837
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -5.751
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -1.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -211.812898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.812898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.812898 (E_RNA)
where:
Base-Base interactions energy: -132.648
where: short stacking energy: -57.973
Base-Backbone interact. energy: 0.028
local terms energy: -79.193334
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -16.647
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -10.298
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: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -193.318427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.318427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.318427 (E_RNA)
where:
Base-Base interactions energy: -125.682
where: short stacking energy: -58.383
Base-Backbone interact. energy: -0.109
local terms energy: -67.527293
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -12.205
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: 8
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -194.518700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.518700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.518700 (E_RNA)
where:
Base-Base interactions energy: -125.978
where: short stacking energy: -63.794
Base-Backbone interact. energy: -0.416
local terms energy: -68.124850
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -191.647831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.647831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.647831 (E_RNA)
where:
Base-Base interactions energy: -129.239
where: short stacking energy: -57.560
Base-Backbone interact. energy: -0.024
local terms energy: -62.384348
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -13.622
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: 134
Temperature: 1.100000
Total energy: -177.251238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.251238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.251238 (E_RNA)
where:
Base-Base interactions energy: -108.381
where: short stacking energy: -50.458
Base-Backbone interact. energy: -0.101
local terms energy: -68.769179
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -173.243672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.243672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.243672 (E_RNA)
where:
Base-Base interactions energy: -103.011
where: short stacking energy: -50.625
Base-Backbone interact. energy: -0.288
local terms energy: -69.944183
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -17.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -99.050732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.050732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.050732 (E_RNA)
where:
Base-Base interactions energy: -34.442
where: short stacking energy: -31.373
Base-Backbone interact. energy: -0.324
local terms energy: -64.284195
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -86.030483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.030483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.030483 (E_RNA)
where:
Base-Base interactions energy: -31.601
where: short stacking energy: -23.317
Base-Backbone interact. energy: -1.619
local terms energy: -52.811288
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -3.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -76.745521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.745521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.745521 (E_RNA)
where:
Base-Base interactions energy: -31.591
where: short stacking energy: -23.628
Base-Backbone interact. energy: 1.010
local terms energy: -46.164371
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: 1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -67.040847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.040847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.040847 (E_RNA)
where:
Base-Base interactions energy: -18.916
where: short stacking energy: -18.916
Base-Backbone interact. energy: -0.028
local terms energy: -48.096943
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -209.174533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.174533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.174533 (E_RNA)
where:
Base-Base interactions energy: -132.980
where: short stacking energy: -64.534
Base-Backbone interact. energy: -0.457
local terms energy: -75.736891
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -20.670
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: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -204.519458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.519458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.519458 (E_RNA)
where:
Base-Base interactions energy: -130.674
where: short stacking energy: -61.359
Base-Backbone interact. energy: -0.003
local terms energy: -73.842468
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -16.556
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: 8
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -193.292714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.292714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.292714 (E_RNA)
where:
Base-Base interactions energy: -112.454
where: short stacking energy: -57.544
Base-Backbone interact. energy: -0.033
local terms energy: -80.805639
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -13.768
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: 4, replica: 7
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -184.929171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.929171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.929171 (E_RNA)
where:
Base-Base interactions energy: -120.156
where: short stacking energy: -49.004
Base-Backbone interact. energy: -0.033
local terms energy: -64.739752
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -10.857
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: 135
Temperature: 1.100000
Total energy: -177.840426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.840426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.840426 (E_RNA)
where:
Base-Base interactions energy: -105.723
where: short stacking energy: -45.230
Base-Backbone interact. energy: -0.678
local terms energy: -71.439441
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -173.815296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.815296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.815296 (E_RNA)
where:
Base-Base interactions energy: -104.166
where: short stacking energy: -42.929
Base-Backbone interact. energy: -0.502
local terms energy: -69.147652
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -92.282948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.282948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.282948 (E_RNA)
where:
Base-Base interactions energy: -38.366
where: short stacking energy: -32.571
Base-Backbone interact. energy: 0.213
local terms energy: -54.130469
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -6.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -73.930016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.930016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.930016 (E_RNA)
where:
Base-Base interactions energy: -31.579
where: short stacking energy: -27.328
Base-Backbone interact. energy: -0.006
local terms energy: -42.344096
where:
bonds (distance) C4'-P energy: -8.761
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -5.837
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -75.825425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.825425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.825425 (E_RNA)
where:
Base-Base interactions energy: -26.458
where: short stacking energy: -16.473
Base-Backbone interact. energy: -0.191
local terms energy: -49.175973
where:
bonds (distance) C4'-P energy: -10.230
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -75.654255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.654255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.654255 (E_RNA)
where:
Base-Base interactions energy: -25.264
where: short stacking energy: -24.153
Base-Backbone interact. energy: 0.666
local terms energy: -51.057100
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -3.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -205.528297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.528297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.528297 (E_RNA)
where:
Base-Base interactions energy: -132.138
where: short stacking energy: -63.928
Base-Backbone interact. energy: -0.135
local terms energy: -73.255624
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -193.510172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.510172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.510172 (E_RNA)
where:
Base-Base interactions energy: -134.723
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.212
local terms energy: -58.575689
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -6.223
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: 3, replica: 7
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -191.240898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.240898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.240898 (E_RNA)
where:
Base-Base interactions energy: -116.539
where: short stacking energy: -56.181
Base-Backbone interact. energy: -0.111
local terms energy: -74.590618
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -10.836
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: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -180.375602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.375602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.375602 (E_RNA)
where:
Base-Base interactions energy: -114.969
where: short stacking energy: -52.883
Base-Backbone interact. energy: -0.176
local terms energy: -65.230793
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -8.423
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -145.492339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.492339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.492339 (E_RNA)
where:
Base-Base interactions energy: -78.323
where: short stacking energy: -31.372
Base-Backbone interact. energy: -0.843
local terms energy: -66.326367
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -9.268
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: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -163.012642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.012642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.012642 (E_RNA)
where:
Base-Base interactions energy: -99.459
where: short stacking energy: -50.705
Base-Backbone interact. energy: -0.363
local terms energy: -63.190324
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -15.321
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -12.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -92.273523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.273523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.273523 (E_RNA)
where:
Base-Base interactions energy: -36.314
where: short stacking energy: -36.314
Base-Backbone interact. energy: -0.069
local terms energy: -55.890065
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.714
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -5.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -82.245621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.245621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.245621 (E_RNA)
where:
Base-Base interactions energy: -30.825
where: short stacking energy: -28.126
Base-Backbone interact. energy: 0.927
local terms energy: -52.348304
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -2.180
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: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -73.237160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.237160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.237160 (E_RNA)
where:
Base-Base interactions energy: -23.423
where: short stacking energy: -23.423
Base-Backbone interact. energy: -0.189
local terms energy: -49.625873
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -11.105
flat angles P-C4'-P energy: -5.758
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: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -71.746789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.746789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.746789 (E_RNA)
where:
Base-Base interactions energy: -21.363
where: short stacking energy: -20.004
Base-Backbone interact. energy: -0.302
local terms energy: -50.082292
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -7.409
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: 1, replica: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -220.482820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.482820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.482820 (E_RNA)
where:
Base-Base interactions energy: -143.648
where: short stacking energy: -68.718
Base-Backbone interact. energy: -0.092
local terms energy: -76.742627
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -9.071
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: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -190.675090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.675090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.675090 (E_RNA)
where:
Base-Base interactions energy: -118.990
where: short stacking energy: -67.491
Base-Backbone interact. energy: -0.019
local terms energy: -71.665902
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -6.181
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: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -188.758780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.758780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.758780 (E_RNA)
where:
Base-Base interactions energy: -119.594
where: short stacking energy: -59.498
Base-Backbone interact. energy: -0.069
local terms energy: -69.095639
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -8.752
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -192.141291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.141291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.141291 (E_RNA)
where:
Base-Base interactions energy: -121.510
where: short stacking energy: -65.845
Base-Backbone interact. energy: -0.090
local terms energy: -70.541035
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -10.667
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: 5, replica: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -154.468816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.468816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.468816 (E_RNA)
where:
Base-Base interactions energy: -87.429
where: short stacking energy: -42.598
Base-Backbone interact. energy: -0.337
local terms energy: -66.702802
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -167.891924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.891924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.891924 (E_RNA)
where:
Base-Base interactions energy: -100.419
where: short stacking energy: -50.420
Base-Backbone interact. energy: -1.022
local terms energy: -66.450652
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -10.729
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: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -108.994622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.994622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.994622 (E_RNA)
where:
Base-Base interactions energy: -43.232
where: short stacking energy: -36.980
Base-Backbone interact. energy: -0.018
local terms energy: -65.744494
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -83.645228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.645228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.645228 (E_RNA)
where:
Base-Base interactions energy: -30.393
where: short stacking energy: -30.393
Base-Backbone interact. energy: -0.017
local terms energy: -53.235410
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -7.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -81.168854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.168854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.168854 (E_RNA)
where:
Base-Base interactions energy: -25.116
where: short stacking energy: -19.366
Base-Backbone interact. energy: -0.353
local terms energy: -55.700450
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -74.444025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.444025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.444025 (E_RNA)
where:
Base-Base interactions energy: -27.104
where: short stacking energy: -27.104
Base-Backbone interact. energy: -0.103
local terms energy: -47.236358
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -3.675
tors. eta vs tors. theta energy: -4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -211.804965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.804965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.804965 (E_RNA)
where:
Base-Base interactions energy: -137.291
where: short stacking energy: -62.660
Base-Backbone interact. energy: -0.001
local terms energy: -74.512515
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -18.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -180.518530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.518530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.518530 (E_RNA)
where:
Base-Base interactions energy: -113.783
where: short stacking energy: -57.305
Base-Backbone interact. energy: -0.119
local terms energy: -66.616854
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -13.393
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: 8
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -194.341157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.341157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.341157 (E_RNA)
where:
Base-Base interactions energy: -125.065
where: short stacking energy: -58.299
Base-Backbone interact. energy: -0.217
local terms energy: -69.058936
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -19.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -188.268557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.268557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.268557 (E_RNA)
where:
Base-Base interactions energy: -120.063
where: short stacking energy: -48.905
Base-Backbone interact. energy: -0.105
local terms energy: -68.100613
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -11.178
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: 138
Temperature: 1.100000
Total energy: -171.484635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.484635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.484635 (E_RNA)
where:
Base-Base interactions energy: -110.011
where: short stacking energy: -42.276
Base-Backbone interact. energy: -0.476
local terms energy: -60.997175
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -163.739754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.739754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.739754 (E_RNA)
where:
Base-Base interactions energy: -93.471
where: short stacking energy: -47.809
Base-Backbone interact. energy: -0.417
local terms energy: -69.851883
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -13.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -134.042934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.042934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.042934 (E_RNA)
where:
Base-Base interactions energy: -70.305
where: short stacking energy: -45.626
Base-Backbone interact. energy: -0.018
local terms energy: -63.719926
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -10.574
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -88.476285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.476285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.476285 (E_RNA)
where:
Base-Base interactions energy: -32.153
where: short stacking energy: -32.153
Base-Backbone interact. energy: -0.251
local terms energy: -56.072080
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -3.663
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: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -75.846629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.846629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.846629 (E_RNA)
where:
Base-Base interactions energy: -25.250
where: short stacking energy: -25.139
Base-Backbone interact. energy: 0.064
local terms energy: -50.660398
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -7.238
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: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -83.534771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.534771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.534771 (E_RNA)
where:
Base-Base interactions energy: -28.932
where: short stacking energy: -26.513
Base-Backbone interact. energy: -0.562
local terms energy: -54.040878
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -3.659
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: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -212.494682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.494682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.494682 (E_RNA)
where:
Base-Base interactions energy: -134.184
where: short stacking energy: -57.751
Base-Backbone interact. energy: -0.005
local terms energy: -78.305104
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -17.793
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: 7
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -191.549842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.549842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.549842 (E_RNA)
where:
Base-Base interactions energy: -121.591
where: short stacking energy: -57.760
Base-Backbone interact. energy: -0.347
local terms energy: -69.611862
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -15.795
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: 8
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -188.350357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.350357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.350357 (E_RNA)
where:
Base-Base interactions energy: -118.950
where: short stacking energy: -57.440
Base-Backbone interact. energy: -0.213
local terms energy: -69.186730
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -17.848
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: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -185.208589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.208589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.208589 (E_RNA)
where:
Base-Base interactions energy: -120.889
where: short stacking energy: -55.356
Base-Backbone interact. energy: -0.020
local terms energy: -64.299259
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -6.302
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -173.573121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.573121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.573121 (E_RNA)
where:
Base-Base interactions energy: -105.272
where: short stacking energy: -52.821
Base-Backbone interact. energy: -0.023
local terms energy: -68.277779
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -167.764480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.764480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.764480 (E_RNA)
where:
Base-Base interactions energy: -96.165
where: short stacking energy: -45.372
Base-Backbone interact. energy: -0.003
local terms energy: -71.596533
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -104.206700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.206700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.206700 (E_RNA)
where:
Base-Base interactions energy: -52.280
where: short stacking energy: -45.515
Base-Backbone interact. energy: -0.065
local terms energy: -51.861417
where:
bonds (distance) C4'-P energy: -7.586
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -9.697
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: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -86.675704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.675704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.675704 (E_RNA)
where:
Base-Base interactions energy: -37.048
where: short stacking energy: -32.440
Base-Backbone interact. energy: -0.479
local terms energy: -49.149352
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -6.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -74.656489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.656489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.656489 (E_RNA)
where:
Base-Base interactions energy: -24.976
where: short stacking energy: -19.778
Base-Backbone interact. energy: -0.470
local terms energy: -49.210152
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -10.149
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: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -78.961632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.961632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.961632 (E_RNA)
where:
Base-Base interactions energy: -30.172
where: short stacking energy: -30.172
Base-Backbone interact. energy: -0.117
local terms energy: -48.672809
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -4.118
tors. eta vs tors. theta energy: -2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -212.089114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.089114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.089114 (E_RNA)
where:
Base-Base interactions energy: -127.069
where: short stacking energy: -59.599
Base-Backbone interact. energy: -2.259
local terms energy: -82.760903
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -20.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -190.478542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.478542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.478542 (E_RNA)
where:
Base-Base interactions energy: -117.984
where: short stacking energy: -59.132
Base-Backbone interact. energy: -0.063
local terms energy: -72.431275
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -184.942357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.942357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.942357 (E_RNA)
where:
Base-Base interactions energy: -115.428
where: short stacking energy: -52.160
Base-Backbone interact. energy: -0.321
local terms energy: -69.193898
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -17.974
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -11.633
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: 4, replica: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -183.830654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.830654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.830654 (E_RNA)
where:
Base-Base interactions energy: -123.997
where: short stacking energy: -59.362
Base-Backbone interact. energy: -0.158
local terms energy: -59.675598
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -7.565
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -10.785
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: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -166.227784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.227784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.227784 (E_RNA)
where:
Base-Base interactions energy: -100.988
where: short stacking energy: -55.106
Base-Backbone interact. energy: -0.096
local terms energy: -65.143635
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -170.058037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.058037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.058037 (E_RNA)
where:
Base-Base interactions energy: -109.343
where: short stacking energy: -55.405
Base-Backbone interact. energy: -0.260
local terms energy: -60.455097
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -9.964
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -11.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -92.094251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.094251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.094251 (E_RNA)
where:
Base-Base interactions energy: -36.679
where: short stacking energy: -23.473
Base-Backbone interact. energy: -0.019
local terms energy: -55.395736
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -10.474
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -99.422333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.422333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.422333 (E_RNA)
where:
Base-Base interactions energy: -44.430
where: short stacking energy: -25.508
Base-Backbone interact. energy: -0.166
local terms energy: -54.826729
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -0.950
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: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -75.570195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.570195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.570195 (E_RNA)
where:
Base-Base interactions energy: -19.433
where: short stacking energy: -19.433
Base-Backbone interact. energy: -0.002
local terms energy: -56.135456
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -70.412016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.412016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.412016 (E_RNA)
where:
Base-Base interactions energy: -23.653
where: short stacking energy: -19.712
Base-Backbone interact. energy: -0.793
local terms energy: -45.966505
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: 2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -206.238702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.238702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.238702 (E_RNA)
where:
Base-Base interactions energy: -129.836
where: short stacking energy: -67.278
Base-Backbone interact. energy: -0.002
local terms energy: -76.400511
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -195.458259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.458259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.458259 (E_RNA)
where:
Base-Base interactions energy: -115.441
where: short stacking energy: -54.354
Base-Backbone interact. energy: -0.226
local terms energy: -79.791409
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -183.014255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.014255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.014255 (E_RNA)
where:
Base-Base interactions energy: -115.955
where: short stacking energy: -53.605
Base-Backbone interact. energy: -0.647
local terms energy: -66.412804
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -16.843
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: 9
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -178.071041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.071041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.071041 (E_RNA)
where:
Base-Base interactions energy: -107.814
where: short stacking energy: -62.522
Base-Backbone interact. energy: -0.034
local terms energy: -70.223318
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -16.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -171.698842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.698842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.698842 (E_RNA)
where:
Base-Base interactions energy: -107.907
where: short stacking energy: -52.115
Base-Backbone interact. energy: -0.073
local terms energy: -63.719271
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -173.906924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.906924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.906924 (E_RNA)
where:
Base-Base interactions energy: -110.606
where: short stacking energy: -51.905
Base-Backbone interact. energy: -0.081
local terms energy: -63.220115
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -93.328204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.328204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.328204 (E_RNA)
where:
Base-Base interactions energy: -31.116
where: short stacking energy: -31.438
Base-Backbone interact. energy: -0.426
local terms energy: -61.786644
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -8.750
tors. eta vs tors. theta energy: -5.108
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: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -96.369708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.369708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.369708 (E_RNA)
where:
Base-Base interactions energy: -49.716
where: short stacking energy: -34.196
Base-Backbone interact. energy: -0.252
local terms energy: -46.401851
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -8.516
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: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -81.790243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.790243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.790243 (E_RNA)
where:
Base-Base interactions energy: -34.403
where: short stacking energy: -26.039
Base-Backbone interact. energy: -0.015
local terms energy: -47.372192
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -5.536
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -79.238038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.238038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.238038 (E_RNA)
where:
Base-Base interactions energy: -30.251
where: short stacking energy: -29.552
Base-Backbone interact. energy: -0.077
local terms energy: -48.910549
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -12.771
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -188.155994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.155994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.155994 (E_RNA)
where:
Base-Base interactions energy: -110.312
where: short stacking energy: -49.960
Base-Backbone interact. energy: -0.118
local terms energy: -77.726294
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -17.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -188.971936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.971936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.971936 (E_RNA)
where:
Base-Base interactions energy: -124.891
where: short stacking energy: -52.546
Base-Backbone interact. energy: 1.455
local terms energy: -65.535895
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -199.204762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.204762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.204762 (E_RNA)
where:
Base-Base interactions energy: -126.029
where: short stacking energy: -55.670
Base-Backbone interact. energy: -0.223
local terms energy: -72.953223
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -11.679
tors. eta vs tors. theta energy: -16.078
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: 7
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -175.451336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.451336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.451336 (E_RNA)
where:
Base-Base interactions energy: -112.195
where: short stacking energy: -61.016
Base-Backbone interact. energy: -0.230
local terms energy: -63.026988
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -190.271590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.271590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.271590 (E_RNA)
where:
Base-Base interactions energy: -121.124
where: short stacking energy: -49.734
Base-Backbone interact. energy: -1.830
local terms energy: -67.316982
where:
bonds (distance) C4'-P energy: -7.197
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -13.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -181.248868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.248868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.248868 (E_RNA)
where:
Base-Base interactions energy: -111.645
where: short stacking energy: -52.311
Base-Backbone interact. energy: -0.036
local terms energy: -69.567626
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -11.199
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -86.204883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.204883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.204883 (E_RNA)
where:
Base-Base interactions energy: -31.040
where: short stacking energy: -23.171
Base-Backbone interact. energy: -0.065
local terms energy: -55.100233
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -4.427
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: 8, replica: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -88.418315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.418315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.418315 (E_RNA)
where:
Base-Base interactions energy: -33.876
where: short stacking energy: -31.445
Base-Backbone interact. energy: -0.027
local terms energy: -54.515706
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -7.397
flat angles P-C4'-P energy: -6.274
tors. eta vs tors. theta energy: -5.957
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: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -85.228200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.228200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.228200 (E_RNA)
where:
Base-Base interactions energy: -40.016
where: short stacking energy: -40.016
Base-Backbone interact. energy: -0.110
local terms energy: -45.102504
where:
bonds (distance) C4'-P energy: -7.016
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -63.939264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -63.939264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -63.939264 (E_RNA)
where:
Base-Base interactions energy: -21.322
where: short stacking energy: -18.144
Base-Backbone interact. energy: -0.053
local terms energy: -42.564690
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -10.764
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: 1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -210.961662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.961662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.961662 (E_RNA)
where:
Base-Base interactions energy: -134.978
where: short stacking energy: -65.778
Base-Backbone interact. energy: -0.098
local terms energy: -75.886180
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -5.752
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -191.603955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.603955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.603955 (E_RNA)
where:
Base-Base interactions energy: -125.837
where: short stacking energy: -60.670
Base-Backbone interact. energy: -0.672
local terms energy: -65.095121
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -178.928516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.928516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.928516 (E_RNA)
where:
Base-Base interactions energy: -112.799
where: short stacking energy: -49.344
Base-Backbone interact. energy: -0.121
local terms energy: -66.008556
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -13.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -177.098749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.098749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.098749 (E_RNA)
where:
Base-Base interactions energy: -112.751
where: short stacking energy: -54.761
Base-Backbone interact. energy: -0.061
local terms energy: -64.285823
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -6.392
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: 7
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -180.676079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.676079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.676079 (E_RNA)
where:
Base-Base interactions energy: -112.367
where: short stacking energy: -60.121
Base-Backbone interact. energy: 0.162
local terms energy: -68.471249
where:
bonds (distance) C4'-P energy: -12.368
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -6.434
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: 143
Temperature: 1.150000
Total energy: -174.947366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.947366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.947366 (E_RNA)
where:
Base-Base interactions energy: -103.383
where: short stacking energy: -46.959
Base-Backbone interact. energy: -0.049
local terms energy: -71.515127
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -96.379495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.379495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.379495 (E_RNA)
where:
Base-Base interactions energy: -34.598
where: short stacking energy: -34.598
Base-Backbone interact. energy: -0.007
local terms energy: -61.774575
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -83.979558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.979558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.979558 (E_RNA)
where:
Base-Base interactions energy: -35.751
where: short stacking energy: -35.751
Base-Backbone interact. energy: -0.030
local terms energy: -48.199261
where:
bonds (distance) C4'-P energy: -7.826
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -8.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -73.106151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.106151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.106151 (E_RNA)
where:
Base-Base interactions energy: -26.299
where: short stacking energy: -26.299
Base-Backbone interact. energy: 1.694
local terms energy: -48.501641
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -6.869
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -74.159028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.159028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.159028 (E_RNA)
where:
Base-Base interactions energy: -34.071
where: short stacking energy: -16.505
Base-Backbone interact. energy: -0.052
local terms energy: -40.035791
where:
bonds (distance) C4'-P energy: -8.422
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -0.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -203.167235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.167235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.167235 (E_RNA)
where:
Base-Base interactions energy: -127.496
where: short stacking energy: -63.888
Base-Backbone interact. energy: -0.621
local terms energy: -75.050648
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -19.471
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: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -211.808381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.808381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.808381 (E_RNA)
where:
Base-Base interactions energy: -136.323
where: short stacking energy: -65.416
Base-Backbone interact. energy: -0.009
local terms energy: -75.476527
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -21.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -198.541179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.541179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.541179 (E_RNA)
where:
Base-Base interactions energy: -133.846
where: short stacking energy: -44.843
Base-Backbone interact. energy: -0.017
local terms energy: -64.677536
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -13.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -183.696960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.696960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.696960 (E_RNA)
where:
Base-Base interactions energy: -110.306
where: short stacking energy: -50.762
Base-Backbone interact. energy: -0.386
local terms energy: -73.004972
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -11.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -169.553295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.553295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.553295 (E_RNA)
where:
Base-Base interactions energy: -104.197
where: short stacking energy: -54.428
Base-Backbone interact. energy: -0.100
local terms energy: -65.255592
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -11.657
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: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -174.881287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.881287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.881287 (E_RNA)
where:
Base-Base interactions energy: -106.302
where: short stacking energy: -46.397
Base-Backbone interact. energy: -0.015
local terms energy: -68.564163
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -79.926012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.926012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.926012 (E_RNA)
where:
Base-Base interactions energy: -24.808
where: short stacking energy: -24.316
Base-Backbone interact. energy: -0.100
local terms energy: -55.017892
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -12.070
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -91.107605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.107605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.107605 (E_RNA)
where:
Base-Base interactions energy: -40.238
where: short stacking energy: -26.287
Base-Backbone interact. energy: 1.511
local terms energy: -52.381081
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -5.337
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: 9, replica: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -85.869805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.869805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.869805 (E_RNA)
where:
Base-Base interactions energy: -33.586
where: short stacking energy: -33.586
Base-Backbone interact. energy: -0.088
local terms energy: -52.195458
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -70.319185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.319185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.319185 (E_RNA)
where:
Base-Base interactions energy: -27.682
where: short stacking energy: -24.282
Base-Backbone interact. energy: 0.300
local terms energy: -42.937187
where:
bonds (distance) C4'-P energy: -5.012
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -3.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -211.831597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.831597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.831597 (E_RNA)
where:
Base-Base interactions energy: -139.985
where: short stacking energy: -66.080
Base-Backbone interact. energy: -0.605
local terms energy: -71.240983
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -11.100
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -7.241
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: 5
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -198.885073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.885073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.885073 (E_RNA)
where:
Base-Base interactions energy: -129.031
where: short stacking energy: -46.838
Base-Backbone interact. energy: -0.096
local terms energy: -69.758903
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -12.390
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: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -201.043971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.043971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.043971 (E_RNA)
where:
Base-Base interactions energy: -127.074
where: short stacking energy: -67.125
Base-Backbone interact. energy: -0.012
local terms energy: -73.958386
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.780
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -166.661977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.661977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.661977 (E_RNA)
where:
Base-Base interactions energy: -102.608
where: short stacking energy: -50.486
Base-Backbone interact. energy: -1.172
local terms energy: -62.882263
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -159.425613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.425613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.425613 (E_RNA)
where:
Base-Base interactions energy: -98.811
where: short stacking energy: -47.282
Base-Backbone interact. energy: 1.657
local terms energy: -62.271696
where:
bonds (distance) C4'-P energy: -10.159
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -171.553369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.553369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.553369 (E_RNA)
where:
Base-Base interactions energy: -102.473
where: short stacking energy: -57.091
Base-Backbone interact. energy: -0.498
local terms energy: -68.582319
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -14.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -82.279258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.279258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.279258 (E_RNA)
where:
Base-Base interactions energy: -27.996
where: short stacking energy: -27.996
Base-Backbone interact. energy: -0.091
local terms energy: -54.191685
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -6.626
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: 4
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -83.203382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.203382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.203382 (E_RNA)
where:
Base-Base interactions energy: -31.615
where: short stacking energy: -31.218
Base-Backbone interact. energy: -0.161
local terms energy: -51.426652
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -10.136
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -83.619799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.619799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.619799 (E_RNA)
where:
Base-Base interactions energy: -32.870
where: short stacking energy: -32.870
Base-Backbone interact. energy: -0.089
local terms energy: -50.660300
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -6.223
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -6.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -78.444427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.444427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.444427 (E_RNA)
where:
Base-Base interactions energy: -26.139
where: short stacking energy: -26.139
Base-Backbone interact. energy: 0.354
local terms energy: -52.659068
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -8.725
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: 5
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -215.360921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.360921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.360921 (E_RNA)
where:
Base-Base interactions energy: -140.360
where: short stacking energy: -69.143
Base-Backbone interact. energy: -0.001
local terms energy: -74.999428
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -16.932
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: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -207.274307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.274307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.274307 (E_RNA)
where:
Base-Base interactions energy: -141.936
where: short stacking energy: -71.017
Base-Backbone interact. energy: -0.236
local terms energy: -65.101756
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -1.975
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -180.434084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.434084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.434084 (E_RNA)
where:
Base-Base interactions energy: -113.377
where: short stacking energy: -55.942
Base-Backbone interact. energy: -0.023
local terms energy: -67.033519
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -12.245
flat angles P-C4'-P energy: -10.168
tors. eta vs tors. theta energy: -15.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -178.026139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.026139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.026139 (E_RNA)
where:
Base-Base interactions energy: -112.110
where: short stacking energy: -55.842
Base-Backbone interact. energy: -0.580
local terms energy: -65.336346
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -5.205
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -158.445114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.445114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.445114 (E_RNA)
where:
Base-Base interactions energy: -100.327
where: short stacking energy: -42.440
Base-Backbone interact. energy: -0.901
local terms energy: -57.217064
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -13.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -179.488055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.488055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.488055 (E_RNA)
where:
Base-Base interactions energy: -109.386
where: short stacking energy: -58.783
Base-Backbone interact. energy: -0.405
local terms energy: -69.696205
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -88.433278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.433278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.433278 (E_RNA)
where:
Base-Base interactions energy: -33.000
where: short stacking energy: -31.246
Base-Backbone interact. energy: -0.052
local terms energy: -55.381467
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -4.142
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: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -95.688041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.688041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.688041 (E_RNA)
where:
Base-Base interactions energy: -40.491
where: short stacking energy: -26.211
Base-Backbone interact. energy: -0.427
local terms energy: -54.770379
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -75.843172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.843172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.843172 (E_RNA)
where:
Base-Base interactions energy: -36.848
where: short stacking energy: -22.904
Base-Backbone interact. energy: 1.070
local terms energy: -40.065893
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -7.942
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: 2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -86.470229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.470229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.470229 (E_RNA)
where:
Base-Base interactions energy: -32.700
where: short stacking energy: -31.742
Base-Backbone interact. energy: -0.006
local terms energy: -53.764057
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -7.466
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: 1, replica: 5
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -212.802673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.802673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.802673 (E_RNA)
where:
Base-Base interactions energy: -130.621
where: short stacking energy: -59.114
Base-Backbone interact. energy: -0.037
local terms energy: -82.145090
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -14.704
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: 2, replica: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -186.346773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.346773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.346773 (E_RNA)
where:
Base-Base interactions energy: -117.353
where: short stacking energy: -57.257
Base-Backbone interact. energy: -0.060
local terms energy: -68.934045
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -12.819
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -13.322
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -193.181519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.181519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.181519 (E_RNA)
where:
Base-Base interactions energy: -122.184
where: short stacking energy: -66.473
Base-Backbone interact. energy: -0.013
local terms energy: -70.984990
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -5.608
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: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -178.840855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.840855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.840855 (E_RNA)
where:
Base-Base interactions energy: -106.872
where: short stacking energy: -58.138
Base-Backbone interact. energy: -0.100
local terms energy: -71.868303
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -16.859
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: 5, replica: 7
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -129.549523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.549523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.549523 (E_RNA)
where:
Base-Base interactions energy: -79.315
where: short stacking energy: -37.659
Base-Backbone interact. energy: -0.125
local terms energy: -50.110137
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -4.314
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -164.566897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.566897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.566897 (E_RNA)
where:
Base-Base interactions energy: -103.661
where: short stacking energy: -53.615
Base-Backbone interact. energy: 1.447
local terms energy: -62.353069
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -90.427902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.427902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.427902 (E_RNA)
where:
Base-Base interactions energy: -40.009
where: short stacking energy: -28.764
Base-Backbone interact. energy: -0.758
local terms energy: -49.660624
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -2.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -81.629052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.629052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.629052 (E_RNA)
where:
Base-Base interactions energy: -31.095
where: short stacking energy: -31.095
Base-Backbone interact. energy: -0.099
local terms energy: -50.434898
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -7.575
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -2.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -75.352498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.352498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.352498 (E_RNA)
where:
Base-Base interactions energy: -28.547
where: short stacking energy: -22.065
Base-Backbone interact. energy: 2.961
local terms energy: -49.766141
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: -0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -77.005756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.005756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.005756 (E_RNA)
where:
Base-Base interactions energy: -22.298
where: short stacking energy: -22.298
Base-Backbone interact. energy: -0.287
local terms energy: -54.420645
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -8.220
flat angles P-C4'-P energy: -8.226
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: 5
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -209.630261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.630261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.630261 (E_RNA)
where:
Base-Base interactions energy: -145.487
where: short stacking energy: -55.853
Base-Backbone interact. energy: -0.122
local terms energy: -64.021148
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -13.316
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: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -192.512063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.512063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.512063 (E_RNA)
where:
Base-Base interactions energy: -122.164
where: short stacking energy: -56.407
Base-Backbone interact. energy: -0.024
local terms energy: -70.324145
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -184.598163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.598163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.598163 (E_RNA)
where:
Base-Base interactions energy: -113.403
where: short stacking energy: -55.195
Base-Backbone interact. energy: 0.602
local terms energy: -71.797407
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -12.322
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: 148
Temperature: 1.050000
Total energy: -185.921151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.921151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.921151 (E_RNA)
where:
Base-Base interactions energy: -116.000
where: short stacking energy: -52.339
Base-Backbone interact. energy: 0.275
local terms energy: -70.195754
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -167.398891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.398891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.398891 (E_RNA)
where:
Base-Base interactions energy: -101.286
where: short stacking energy: -44.432
Base-Backbone interact. energy: -0.020
local terms energy: -66.093644
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -107.832988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.832988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.832988 (E_RNA)
where:
Base-Base interactions energy: -54.754
where: short stacking energy: -32.910
Base-Backbone interact. energy: -0.231
local terms energy: -52.847290
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -4.906
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: 148
Temperature: 1.200000
Total energy: -87.743705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.743705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.743705 (E_RNA)
where:
Base-Base interactions energy: -33.528
where: short stacking energy: -32.575
Base-Backbone interact. energy: -0.311
local terms energy: -53.904890
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -93.209312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.209312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.209312 (E_RNA)
where:
Base-Base interactions energy: -46.258
where: short stacking energy: -31.984
Base-Backbone interact. energy: -0.361
local terms energy: -46.590303
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -1.809
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: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -78.375493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.375493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.375493 (E_RNA)
where:
Base-Base interactions energy: -23.306
where: short stacking energy: -20.347
Base-Backbone interact. energy: 0.566
local terms energy: -55.634968
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -16.968
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -69.246602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.246602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.246602 (E_RNA)
where:
Base-Base interactions energy: -16.788
where: short stacking energy: -16.788
Base-Backbone interact. energy: -0.048
local terms energy: -52.410639
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -11.925
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -1.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -210.013609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.013609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.013609 (E_RNA)
where:
Base-Base interactions energy: -138.065
where: short stacking energy: -59.638
Base-Backbone interact. energy: 0.065
local terms energy: -72.013490
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -17.471
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: 2, replica: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -207.287092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.287092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.287092 (E_RNA)
where:
Base-Base interactions energy: -138.549
where: short stacking energy: -62.030
Base-Backbone interact. energy: -0.395
local terms energy: -68.343036
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -181.476515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.476515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.476515 (E_RNA)
where:
Base-Base interactions energy: -117.164
where: short stacking energy: -58.960
Base-Backbone interact. energy: -0.101
local terms energy: -64.211726
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -16.741
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: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -195.727158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.727158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.727158 (E_RNA)
where:
Base-Base interactions energy: -116.488
where: short stacking energy: -59.394
Base-Backbone interact. energy: -0.398
local terms energy: -78.840638
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -13.543
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: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -183.986695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.986695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.986695 (E_RNA)
where:
Base-Base interactions energy: -123.497
where: short stacking energy: -58.127
Base-Backbone interact. energy: -0.135
local terms energy: -60.354897
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -8.590
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -16.553
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: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -97.959752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.959752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.959752 (E_RNA)
where:
Base-Base interactions energy: -33.519
where: short stacking energy: -31.731
Base-Backbone interact. energy: 0.475
local terms energy: -64.916148
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -8.803
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: 149
Temperature: 1.200000
Total energy: -89.295188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.295188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.295188 (E_RNA)
where:
Base-Base interactions energy: -31.253
where: short stacking energy: -29.434
Base-Backbone interact. energy: 0.058
local terms energy: -58.100081
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -5.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -84.607946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.607946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.607946 (E_RNA)
where:
Base-Base interactions energy: -33.313
where: short stacking energy: -28.414
Base-Backbone interact. energy: -0.010
local terms energy: -51.285578
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -79.725932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.725932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.725932 (E_RNA)
where:
Base-Base interactions energy: -29.772
where: short stacking energy: -28.191
Base-Backbone interact. energy: -0.246
local terms energy: -49.708196
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -68.627830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.627830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.627830 (E_RNA)
where:
Base-Base interactions energy: -30.229
where: short stacking energy: -24.582
Base-Backbone interact. energy: -0.993
local terms energy: -37.406095
where:
bonds (distance) C4'-P energy: -5.244
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -2.432
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: 5
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -212.281264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.281264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.281264 (E_RNA)
where:
Base-Base interactions energy: -132.237
where: short stacking energy: -57.705
Base-Backbone interact. energy: -0.005
local terms energy: -80.038486
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -213.186398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.186398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.186398 (E_RNA)
where:
Base-Base interactions energy: -137.548
where: short stacking energy: -61.751
Base-Backbone interact. energy: -0.600
local terms energy: -75.038302
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -185.688239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.688239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.688239 (E_RNA)
where:
Base-Base interactions energy: -116.519
where: short stacking energy: -63.729
Base-Backbone interact. energy: -0.022
local terms energy: -69.147526
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -186.814254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.814254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.814254 (E_RNA)
where:
Base-Base interactions energy: -115.610
where: short stacking energy: -58.771
Base-Backbone interact. energy: -0.470
local terms energy: -70.733824
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -17.134
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: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -171.649483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.649483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.649483 (E_RNA)
where:
Base-Base interactions energy: -103.505
where: short stacking energy: -58.057
Base-Backbone interact. energy: -0.498
local terms energy: -67.647275
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -94.972165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.972165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.972165 (E_RNA)
where:
Base-Base interactions energy: -35.580
where: short stacking energy: -35.580
Base-Backbone interact. energy: -0.012
local terms energy: -59.380083
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -5.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -91.048635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.048635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.048635 (E_RNA)
where:
Base-Base interactions energy: -38.070
where: short stacking energy: -34.495
Base-Backbone interact. energy: -0.949
local terms energy: -52.029873
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -5.365
tors. eta vs tors. theta energy: -6.911
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: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -83.620912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.620912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.620912 (E_RNA)
where:
Base-Base interactions energy: -39.436
where: short stacking energy: -39.436
Base-Backbone interact. energy: -0.009
local terms energy: -44.175706
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -2.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -79.551468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.551468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.551468 (E_RNA)
where:
Base-Base interactions energy: -28.960
where: short stacking energy: -27.423
Base-Backbone interact. energy: 0.593
local terms energy: -51.184604
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -7.371
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -6.464
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: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -75.983159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.983159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.983159 (E_RNA)
where:
Base-Base interactions energy: -30.009
where: short stacking energy: -19.357
Base-Backbone interact. energy: -0.163
local terms energy: -45.811038
where:
bonds (distance) C4'-P energy: -4.611
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -11.985
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: 1, replica: 5
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -210.135387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.135387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.135387 (E_RNA)
where:
Base-Base interactions energy: -127.357
where: short stacking energy: -67.739
Base-Backbone interact. energy: -0.000
local terms energy: -82.778210
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -196.342748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.342748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.342748 (E_RNA)
where:
Base-Base interactions energy: -124.320
where: short stacking energy: -66.588
Base-Backbone interact. energy: -0.019
local terms energy: -72.003008
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -10.382
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: 3, replica: 8
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -201.708729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.708729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.708729 (E_RNA)
where:
Base-Base interactions energy: -132.013
where: short stacking energy: -57.303
Base-Backbone interact. energy: -0.165
local terms energy: -69.530885
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -181.763649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.763649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.763649 (E_RNA)
where:
Base-Base interactions energy: -109.643
where: short stacking energy: -53.770
Base-Backbone interact. energy: 0.721
local terms energy: -72.841979
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -166.026540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.026540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.026540 (E_RNA)
where:
Base-Base interactions energy: -107.110
where: short stacking energy: -42.120
Base-Backbone interact. energy: -0.180
local terms energy: -58.737313
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -8.501
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: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -151.814737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.814737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.814737 (E_RNA)
where:
Base-Base interactions energy: -91.491
where: short stacking energy: -46.686
Base-Backbone interact. energy: -0.217
local terms energy: -60.106210
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -12.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -88.491694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.491694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.491694 (E_RNA)
where:
Base-Base interactions energy: -41.379
where: short stacking energy: -30.506
Base-Backbone interact. energy: -0.014
local terms energy: -47.099132
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -10.399
flat angles C4'-P-C4' energy: -8.644
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -84.032750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.032750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.032750 (E_RNA)
where:
Base-Base interactions energy: -36.202
where: short stacking energy: -27.611
Base-Backbone interact. energy: 0.394
local terms energy: -48.224314
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -81.818211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.818211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.818211 (E_RNA)
where:
Base-Base interactions energy: -31.575
where: short stacking energy: -29.650
Base-Backbone interact. energy: -0.043
local terms energy: -50.200438
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -8.206
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -94.354069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.354069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.354069 (E_RNA)
where:
Base-Base interactions energy: -44.004
where: short stacking energy: -22.540
Base-Backbone interact. energy: -0.286
local terms energy: -50.063952
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -209.874214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.874214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.874214 (E_RNA)
where:
Base-Base interactions energy: -142.238
where: short stacking energy: -63.705
Base-Backbone interact. energy: -0.052
local terms energy: -67.585135
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -14.627
flat angles P-C4'-P energy: -10.859
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: 2, replica: 5
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -194.766879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.766879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.766879 (E_RNA)
where:
Base-Base interactions energy: -116.702
where: short stacking energy: -63.381
Base-Backbone interact. energy: -0.171
local terms energy: -77.894688
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -16.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -195.634173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.634173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.634173 (E_RNA)
where:
Base-Base interactions energy: -126.233
where: short stacking energy: -54.082
Base-Backbone interact. energy: -0.189
local terms energy: -69.212203
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -15.650
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: 2
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -186.835435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.835435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.835435 (E_RNA)
where:
Base-Base interactions energy: -114.262
where: short stacking energy: -59.072
Base-Backbone interact. energy: -0.029
local terms energy: -72.544268
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -18.682
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: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -169.196845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.196845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.196845 (E_RNA)
where:
Base-Base interactions energy: -103.104
where: short stacking energy: -43.010
Base-Backbone interact. energy: -0.607
local terms energy: -65.485568
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -11.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -175.351895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.351895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.351895 (E_RNA)
where:
Base-Base interactions energy: -111.367
where: short stacking energy: -54.673
Base-Backbone interact. energy: -0.101
local terms energy: -63.883403
where:
bonds (distance) C4'-P energy: -8.742
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -94.602282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.602282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.602282 (E_RNA)
where:
Base-Base interactions energy: -32.875
where: short stacking energy: -29.025
Base-Backbone interact. energy: -0.200
local terms energy: -61.527348
where:
bonds (distance) C4'-P energy: -9.641
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -8.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -81.640775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.640775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.640775 (E_RNA)
where:
Base-Base interactions energy: -31.541
where: short stacking energy: -30.244
Base-Backbone interact. energy: -0.014
local terms energy: -50.085526
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -3.705
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: 9, replica: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -75.920435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.920435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.920435 (E_RNA)
where:
Base-Base interactions energy: -33.590
where: short stacking energy: -19.066
Base-Backbone interact. energy: 1.283
local terms energy: -43.612926
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -7.885
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: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -69.775703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.775703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.775703 (E_RNA)
where:
Base-Base interactions energy: -22.959
where: short stacking energy: -18.642
Base-Backbone interact. energy: -1.003
local terms energy: -45.814254
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -7.145
tors. eta vs tors. theta energy: -0.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -209.249649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.249649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.249649 (E_RNA)
where:
Base-Base interactions energy: -130.991
where: short stacking energy: -58.354
Base-Backbone interact. energy: 0.256
local terms energy: -78.514992
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -17.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -189.926367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.926367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.926367 (E_RNA)
where:
Base-Base interactions energy: -123.205
where: short stacking energy: -59.326
Base-Backbone interact. energy: 0.542
local terms energy: -67.263392
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -14.497
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -16.200
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: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -180.021649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.021649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.021649 (E_RNA)
where:
Base-Base interactions energy: -107.811
where: short stacking energy: -55.203
Base-Backbone interact. energy: -0.404
local terms energy: -71.806904
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -6.545
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: 4, replica: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -178.426219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.426219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.426219 (E_RNA)
where:
Base-Base interactions energy: -118.469
where: short stacking energy: -48.839
Base-Backbone interact. energy: -0.430
local terms energy: -59.526854
where:
bonds (distance) C4'-P energy: -10.107
bonds (distance) P-C4' energy: -13.356
flat angles C4'-P-C4' energy: -9.139
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -184.463254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.463254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.463254 (E_RNA)
where:
Base-Base interactions energy: -110.193
where: short stacking energy: -47.992
Base-Backbone interact. energy: -0.250
local terms energy: -74.020161
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -19.023
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: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -168.005045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.005045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.005045 (E_RNA)
where:
Base-Base interactions energy: -99.236
where: short stacking energy: -50.203
Base-Backbone interact. energy: 0.558
local terms energy: -69.327787
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -91.501474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.501474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.501474 (E_RNA)
where:
Base-Base interactions energy: -32.648
where: short stacking energy: -32.648
Base-Backbone interact. energy: -0.041
local terms energy: -58.812382
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -8.220
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: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -85.160623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.160623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.160623 (E_RNA)
where:
Base-Base interactions energy: -32.558
where: short stacking energy: -27.784
Base-Backbone interact. energy: -0.253
local terms energy: -52.350079
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -0.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -86.474944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.474944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.474944 (E_RNA)
where:
Base-Base interactions energy: -36.637
where: short stacking energy: -23.896
Base-Backbone interact. energy: -0.125
local terms energy: -49.712856
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -6.443
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: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -73.092869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.092869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.092869 (E_RNA)
where:
Base-Base interactions energy: -24.875
where: short stacking energy: -24.875
Base-Backbone interact. energy: 2.525
local terms energy: -50.743663
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -13.963
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -0.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -201.712939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.712939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.712939 (E_RNA)
where:
Base-Base interactions energy: -123.852
where: short stacking energy: -64.200
Base-Backbone interact. energy: -0.421
local terms energy: -77.440525
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -9.586
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: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -202.981669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.981669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.981669 (E_RNA)
where:
Base-Base interactions energy: -134.944
where: short stacking energy: -60.271
Base-Backbone interact. energy: 1.480
local terms energy: -69.518447
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -14.622
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: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -196.016808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.016808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.016808 (E_RNA)
where:
Base-Base interactions energy: -126.882
where: short stacking energy: -69.960
Base-Backbone interact. energy: -0.002
local terms energy: -69.132131
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -16.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -188.013119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.013119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.013119 (E_RNA)
where:
Base-Base interactions energy: -118.907
where: short stacking energy: -55.863
Base-Backbone interact. energy: 0.115
local terms energy: -69.221631
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -177.764097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.764097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.764097 (E_RNA)
where:
Base-Base interactions energy: -105.089
where: short stacking energy: -54.314
Base-Backbone interact. energy: 0.151
local terms energy: -72.825756
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -19.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -176.323732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.323732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.323732 (E_RNA)
where:
Base-Base interactions energy: -107.207
where: short stacking energy: -61.800
Base-Backbone interact. energy: -0.001
local terms energy: -69.115666
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -11.760
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: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -91.577319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.577319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.577319 (E_RNA)
where:
Base-Base interactions energy: -40.177
where: short stacking energy: -39.147
Base-Backbone interact. energy: -0.011
local terms energy: -51.388727
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -8.275
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: 8, replica: 1
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -88.827158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.827158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.827158 (E_RNA)
where:
Base-Base interactions energy: -41.562
where: short stacking energy: -31.176
Base-Backbone interact. energy: 0.130
local terms energy: -47.394681
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -9.766
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -80.144573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.144573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.144573 (E_RNA)
where:
Base-Base interactions energy: -25.654
where: short stacking energy: -25.493
Base-Backbone interact. energy: 0.328
local terms energy: -54.818140
where:
bonds (distance) C4'-P energy: -14.880
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -1.818
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: 10, replica: 7
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -74.133373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.133373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.133373 (E_RNA)
where:
Base-Base interactions energy: -25.035
where: short stacking energy: -19.603
Base-Backbone interact. energy: 1.405
local terms energy: -50.504021
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: 4.112
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: 1, replica: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -207.770270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.770270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.770270 (E_RNA)
where:
Base-Base interactions energy: -134.318
where: short stacking energy: -65.332
Base-Backbone interact. energy: 0.337
local terms energy: -73.789133
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -19.555
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: 155
Temperature: 0.950000
Total energy: -193.263924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.263924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.263924 (E_RNA)
where:
Base-Base interactions energy: -128.118
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.147
local terms energy: -64.999125
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -14.121
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: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -189.266186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.266186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.266186 (E_RNA)
where:
Base-Base interactions energy: -122.031
where: short stacking energy: -60.947
Base-Backbone interact. energy: -0.424
local terms energy: -66.811286
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -15.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -175.400531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.400531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.400531 (E_RNA)
where:
Base-Base interactions energy: -108.411
where: short stacking energy: -53.966
Base-Backbone interact. energy: -0.047
local terms energy: -66.941562
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -14.466
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -172.058647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.058647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.058647 (E_RNA)
where:
Base-Base interactions energy: -111.977
where: short stacking energy: -54.539
Base-Backbone interact. energy: -0.831
local terms energy: -59.250706
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -6.889
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: 3
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -181.416190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.416190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.416190 (E_RNA)
where:
Base-Base interactions energy: -117.796
where: short stacking energy: -52.887
Base-Backbone interact. energy: -0.163
local terms energy: -63.457254
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -91.322155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.322155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.322155 (E_RNA)
where:
Base-Base interactions energy: -31.271
where: short stacking energy: -31.271
Base-Backbone interact. energy: 0.832
local terms energy: -60.882777
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -11.775
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: 6
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -79.789235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.789235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.789235 (E_RNA)
where:
Base-Base interactions energy: -29.456
where: short stacking energy: -20.800
Base-Backbone interact. energy: -0.028
local terms energy: -50.305234
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -10.263
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -92.314251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.314251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.314251 (E_RNA)
where:
Base-Base interactions energy: -47.259
where: short stacking energy: -34.563
Base-Backbone interact. energy: 2.651
local terms energy: -47.706125
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -70.346600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.346600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.346600 (E_RNA)
where:
Base-Base interactions energy: -24.989
where: short stacking energy: -23.164
Base-Backbone interact. energy: -0.492
local terms energy: -44.865850
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: 0.406
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: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -203.820887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.820887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.820887 (E_RNA)
where:
Base-Base interactions energy: -130.456
where: short stacking energy: -59.278
Base-Backbone interact. energy: -0.116
local terms energy: -73.248239
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -20.599
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: 8
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -197.974587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.974587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.974587 (E_RNA)
where:
Base-Base interactions energy: -133.046
where: short stacking energy: -65.191
Base-Backbone interact. energy: -0.084
local terms energy: -64.844590
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -6.988
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: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -188.458877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.458877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.458877 (E_RNA)
where:
Base-Base interactions energy: -117.558
where: short stacking energy: -57.717
Base-Backbone interact. energy: -0.082
local terms energy: -70.819451
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -14.202
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: 2
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -171.895029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.895029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.895029 (E_RNA)
where:
Base-Base interactions energy: -103.893
where: short stacking energy: -49.777
Base-Backbone interact. energy: -0.033
local terms energy: -67.969645
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -10.551
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -163.989806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.989806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.989806 (E_RNA)
where:
Base-Base interactions energy: -99.915
where: short stacking energy: -42.658
Base-Backbone interact. energy: -0.299
local terms energy: -63.776140
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -6.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -168.781745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.781745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.781745 (E_RNA)
where:
Base-Base interactions energy: -99.826
where: short stacking energy: -46.885
Base-Backbone interact. energy: -0.021
local terms energy: -68.935527
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -16.793
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: 7, replica: 6
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -84.116299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.116299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.116299 (E_RNA)
where:
Base-Base interactions energy: -36.919
where: short stacking energy: -30.888
Base-Backbone interact. energy: -0.070
local terms energy: -47.127528
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -101.942287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.942287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.942287 (E_RNA)
where:
Base-Base interactions energy: -50.442
where: short stacking energy: -26.558
Base-Backbone interact. energy: -0.109
local terms energy: -51.390868
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -5.193
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: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -71.539560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.539560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.539560 (E_RNA)
where:
Base-Base interactions energy: -29.503
where: short stacking energy: -21.409
Base-Backbone interact. energy: -0.152
local terms energy: -41.884566
where:
bonds (distance) C4'-P energy: -9.291
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: 2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -81.053827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.053827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.053827 (E_RNA)
where:
Base-Base interactions energy: -27.347
where: short stacking energy: -20.067
Base-Backbone interact. energy: -0.037
local terms energy: -53.670453
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.206
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -201.407117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.407117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.407117 (E_RNA)
where:
Base-Base interactions energy: -127.018
where: short stacking energy: -60.911
Base-Backbone interact. energy: -0.457
local terms energy: -73.932354
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -8.434
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: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -197.970188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.970188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.970188 (E_RNA)
where:
Base-Base interactions energy: -124.994
where: short stacking energy: -58.890
Base-Backbone interact. energy: -0.103
local terms energy: -72.873927
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -20.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -188.532475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.532475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.532475 (E_RNA)
where:
Base-Base interactions energy: -117.954
where: short stacking energy: -65.162
Base-Backbone interact. energy: -0.501
local terms energy: -70.078005
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -18.523
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: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -170.383650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.383650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.383650 (E_RNA)
where:
Base-Base interactions energy: -101.704
where: short stacking energy: -46.761
Base-Backbone interact. energy: -0.060
local terms energy: -68.620102
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -12.782
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: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -160.953354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.953354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.953354 (E_RNA)
where:
Base-Base interactions energy: -92.509
where: short stacking energy: -48.004
Base-Backbone interact. energy: -0.629
local terms energy: -67.815209
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -166.915013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.915013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.915013 (E_RNA)
where:
Base-Base interactions energy: -99.323
where: short stacking energy: -52.874
Base-Backbone interact. energy: -0.036
local terms energy: -67.555324
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -12.096
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -93.464761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.464761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.464761 (E_RNA)
where:
Base-Base interactions energy: -32.646
where: short stacking energy: -25.081
Base-Backbone interact. energy: -0.027
local terms energy: -60.792409
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -114.137141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.137141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.137141 (E_RNA)
where:
Base-Base interactions energy: -59.542
where: short stacking energy: -39.331
Base-Backbone interact. energy: -0.563
local terms energy: -54.031405
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -8.558
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -5.435
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: 4
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -102.788518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.788518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.788518 (E_RNA)
where:
Base-Base interactions energy: -50.323
where: short stacking energy: -31.283
Base-Backbone interact. energy: -0.266
local terms energy: -52.199580
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -83.365699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.365699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.365699 (E_RNA)
where:
Base-Base interactions energy: -33.804
where: short stacking energy: -29.121
Base-Backbone interact. energy: 0.763
local terms energy: -50.324476
where:
bonds (distance) C4'-P energy: -9.450
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -5.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -203.755847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.755847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.755847 (E_RNA)
where:
Base-Base interactions energy: -135.247
where: short stacking energy: -61.613
Base-Backbone interact. energy: -0.007
local terms energy: -68.501865
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -21.435
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: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -191.766913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.766913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.766913 (E_RNA)
where:
Base-Base interactions energy: -117.526
where: short stacking energy: -51.345
Base-Backbone interact. energy: -0.275
local terms energy: -73.965602
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -11.169
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: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -185.259170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.259170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.259170 (E_RNA)
where:
Base-Base interactions energy: -109.321
where: short stacking energy: -50.347
Base-Backbone interact. energy: -0.052
local terms energy: -75.886400
where:
bonds (distance) C4'-P energy: -17.986
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -11.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -173.405120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.405120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.405120 (E_RNA)
where:
Base-Base interactions energy: -102.602
where: short stacking energy: -52.087
Base-Backbone interact. energy: -0.078
local terms energy: -70.724500
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -17.630
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: 158
Temperature: 1.100000
Total energy: -165.862713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.862713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.862713 (E_RNA)
where:
Base-Base interactions energy: -108.460
where: short stacking energy: -44.931
Base-Backbone interact. energy: -0.061
local terms energy: -57.341839
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -8.822
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -10.531
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: 2
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -138.464949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.464949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.464949 (E_RNA)
where:
Base-Base interactions energy: -83.196
where: short stacking energy: -35.973
Base-Backbone interact. energy: -0.120
local terms energy: -55.148779
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -91.689769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.689769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.689769 (E_RNA)
where:
Base-Base interactions energy: -36.491
where: short stacking energy: -25.052
Base-Backbone interact. energy: -0.160
local terms energy: -55.038438
where:
bonds (distance) C4'-P energy: -7.305
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -7.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -87.346256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.346256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.346256 (E_RNA)
where:
Base-Base interactions energy: -29.934
where: short stacking energy: -29.934
Base-Backbone interact. energy: -0.118
local terms energy: -57.294940
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -83.629355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.629355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.629355 (E_RNA)
where:
Base-Base interactions energy: -23.690
where: short stacking energy: -23.690
Base-Backbone interact. energy: -0.237
local terms energy: -59.702388
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -76.960042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.960042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.960042 (E_RNA)
where:
Base-Base interactions energy: -22.246
where: short stacking energy: -20.997
Base-Backbone interact. energy: -0.387
local terms energy: -54.326436
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -205.079991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.079991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.079991 (E_RNA)
where:
Base-Base interactions energy: -135.280
where: short stacking energy: -67.910
Base-Backbone interact. energy: -0.005
local terms energy: -69.795530
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -17.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -190.977603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.977603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.977603 (E_RNA)
where:
Base-Base interactions energy: -121.020
where: short stacking energy: -56.603
Base-Backbone interact. energy: 1.080
local terms energy: -71.037684
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -192.418204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.418204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.418204 (E_RNA)
where:
Base-Base interactions energy: -121.778
where: short stacking energy: -65.956
Base-Backbone interact. energy: -0.001
local terms energy: -70.639913
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -22.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -170.172652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.172652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.172652 (E_RNA)
where:
Base-Base interactions energy: -112.177
where: short stacking energy: -45.069
Base-Backbone interact. energy: -0.385
local terms energy: -57.611415
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: -11.905
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: 5, replica: 8
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -161.090201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.090201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.090201 (E_RNA)
where:
Base-Base interactions energy: -92.383
where: short stacking energy: -43.290
Base-Backbone interact. energy: -0.244
local terms energy: -68.462421
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -10.469
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: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -153.171736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.171736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.171736 (E_RNA)
where:
Base-Base interactions energy: -96.932
where: short stacking energy: -44.341
Base-Backbone interact. energy: -0.798
local terms energy: -55.441917
where:
bonds (distance) C4'-P energy: -4.186
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -11.341
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: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -80.319976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.319976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.319976 (E_RNA)
where:
Base-Base interactions energy: -30.910
where: short stacking energy: -29.796
Base-Backbone interact. energy: -0.221
local terms energy: -49.189417
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -11.823
flat angles C4'-P-C4' energy: -10.232
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -5.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -89.450142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.450142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.450142 (E_RNA)
where:
Base-Base interactions energy: -35.093
where: short stacking energy: -29.574
Base-Backbone interact. energy: -0.941
local terms energy: -53.416030
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -7.199
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: 9, replica: 6
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -85.087256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.087256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.087256 (E_RNA)
where:
Base-Base interactions energy: -29.886
where: short stacking energy: -26.217
Base-Backbone interact. energy: 0.322
local terms energy: -55.522888
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -2.757
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -86.629330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.629330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.629330 (E_RNA)
where:
Base-Base interactions energy: -35.667
where: short stacking energy: -24.181
Base-Backbone interact. energy: -0.138
local terms energy: -50.823999
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -1.011
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: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -208.927378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.927378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.927378 (E_RNA)
where:
Base-Base interactions energy: -131.389
where: short stacking energy: -67.357
Base-Backbone interact. energy: 0.539
local terms energy: -78.077444
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -10.948
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -14.035
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: 160
Temperature: 0.950000
Total energy: -200.414054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.414054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.414054 (E_RNA)
where:
Base-Base interactions energy: -127.954
where: short stacking energy: -57.934
Base-Backbone interact. energy: -0.408
local terms energy: -72.052117
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -189.251657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.251657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.251657 (E_RNA)
where:
Base-Base interactions energy: -124.039
where: short stacking energy: -49.816
Base-Backbone interact. energy: -0.595
local terms energy: -64.617897
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -11.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -181.235970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.235970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.235970 (E_RNA)
where:
Base-Base interactions energy: -108.892
where: short stacking energy: -54.210
Base-Backbone interact. energy: -0.010
local terms energy: -72.333759
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -180.489278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.489278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.489278 (E_RNA)
where:
Base-Base interactions energy: -115.490
where: short stacking energy: -41.652
Base-Backbone interact. energy: -0.145
local terms energy: -64.854274
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -13.365
flat angles P-C4'-P energy: -6.545
tors. eta vs tors. theta energy: -12.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -165.860573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.860573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.860573 (E_RNA)
where:
Base-Base interactions energy: -98.302
where: short stacking energy: -48.632
Base-Backbone interact. energy: -0.302
local terms energy: -67.256672
where:
bonds (distance) C4'-P energy: -14.909
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -79.413479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.413479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.413479 (E_RNA)
where:
Base-Base interactions energy: -28.994
where: short stacking energy: -26.550
Base-Backbone interact. energy: -0.788
local terms energy: -49.631204
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -96.505474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.505474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.505474 (E_RNA)
where:
Base-Base interactions energy: -38.607
where: short stacking energy: -30.175
Base-Backbone interact. energy: -0.036
local terms energy: -57.862669
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -9.432
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: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -72.661601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.661601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.661601 (E_RNA)
where:
Base-Base interactions energy: -20.325
where: short stacking energy: -15.874
Base-Backbone interact. energy: -0.060
local terms energy: -52.276117
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -77.433884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.433884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.433884 (E_RNA)
where:
Base-Base interactions energy: -28.755
where: short stacking energy: -22.503
Base-Backbone interact. energy: -0.082
local terms energy: -48.596739
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -12.283
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -204.547706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.547706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.547706 (E_RNA)
where:
Base-Base interactions energy: -129.568
where: short stacking energy: -59.355
Base-Backbone interact. energy: -0.333
local terms energy: -74.646979
where:
bonds (distance) C4'-P energy: -13.268
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -20.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -204.287121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.287121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.287121 (E_RNA)
where:
Base-Base interactions energy: -126.895
where: short stacking energy: -58.782
Base-Backbone interact. energy: -1.166
local terms energy: -76.225804
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -203.250880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.250880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.250880 (E_RNA)
where:
Base-Base interactions energy: -135.551
where: short stacking energy: -51.798
Base-Backbone interact. energy: -0.079
local terms energy: -67.621571
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -13.144
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: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -188.785839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.785839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.785839 (E_RNA)
where:
Base-Base interactions energy: -113.253
where: short stacking energy: -45.580
Base-Backbone interact. energy: -0.101
local terms energy: -75.431765
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -178.583486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.583486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.583486 (E_RNA)
where:
Base-Base interactions energy: -106.493
where: short stacking energy: -52.313
Base-Backbone interact. energy: -0.990
local terms energy: -71.099616
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -19.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -173.539617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.539617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.539617 (E_RNA)
where:
Base-Base interactions energy: -103.629
where: short stacking energy: -56.317
Base-Backbone interact. energy: -0.030
local terms energy: -69.880831
where:
bonds (distance) C4'-P energy: -9.012
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -19.471
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: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -97.476891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.476891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.476891 (E_RNA)
where:
Base-Base interactions energy: -43.342
where: short stacking energy: -29.320
Base-Backbone interact. energy: 1.289
local terms energy: -55.424594
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -10.373
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: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -83.227172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.227172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.227172 (E_RNA)
where:
Base-Base interactions energy: -36.744
where: short stacking energy: -22.692
Base-Backbone interact. energy: 0.481
local terms energy: -46.964410
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -76.958466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.958466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.958466 (E_RNA)
where:
Base-Base interactions energy: -25.041
where: short stacking energy: -24.881
Base-Backbone interact. energy: 0.037
local terms energy: -51.953812
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -10.478
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -5.235
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: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -81.456628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.456628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.456628 (E_RNA)
where:
Base-Base interactions energy: -28.766
where: short stacking energy: -24.545
Base-Backbone interact. energy: -0.200
local terms energy: -52.489751
where:
bonds (distance) C4'-P energy: -13.040
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -1.557
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: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -198.709513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.709513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.709513 (E_RNA)
where:
Base-Base interactions energy: -123.583
where: short stacking energy: -59.706
Base-Backbone interact. energy: -0.106
local terms energy: -75.020677
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -14.691
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: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -194.782014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.782014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.782014 (E_RNA)
where:
Base-Base interactions energy: -117.524
where: short stacking energy: -61.488
Base-Backbone interact. energy: -0.004
local terms energy: -77.253910
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -17.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -180.842830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.842830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.842830 (E_RNA)
where:
Base-Base interactions energy: -114.101
where: short stacking energy: -58.677
Base-Backbone interact. energy: 0.864
local terms energy: -67.605685
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -181.667490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.667490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.667490 (E_RNA)
where:
Base-Base interactions energy: -121.315
where: short stacking energy: -49.292
Base-Backbone interact. energy: -0.297
local terms energy: -60.055653
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -174.287454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.287454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.287454 (E_RNA)
where:
Base-Base interactions energy: -99.579
where: short stacking energy: -48.071
Base-Backbone interact. energy: -0.332
local terms energy: -74.376763
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -13.308
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: 162
Temperature: 1.150000
Total energy: -174.349643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.349643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.349643 (E_RNA)
where:
Base-Base interactions energy: -100.854
where: short stacking energy: -45.679
Base-Backbone interact. energy: -0.066
local terms energy: -73.429880
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -15.005
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: 162
Temperature: 1.200000
Total energy: -103.342314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.342314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.342314 (E_RNA)
where:
Base-Base interactions energy: -55.961
where: short stacking energy: -40.266
Base-Backbone interact. energy: 0.804
local terms energy: -48.185669
where:
bonds (distance) C4'-P energy: -8.078
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -9.481
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: 8, replica: 4
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -88.212955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.212955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.212955 (E_RNA)
where:
Base-Base interactions energy: -32.757
where: short stacking energy: -30.574
Base-Backbone interact. energy: 0.634
local terms energy: -56.089380
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -10.710
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: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -72.838886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.838886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.838886 (E_RNA)
where:
Base-Base interactions energy: -24.378
where: short stacking energy: -17.658
Base-Backbone interact. energy: -0.840
local terms energy: -47.620578
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -10.489
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -1.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -87.113507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.113507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.113507 (E_RNA)
where:
Base-Base interactions energy: -31.168
where: short stacking energy: -31.168
Base-Backbone interact. energy: -0.088
local terms energy: -55.857058
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -192.419249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.419249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.419249 (E_RNA)
where:
Base-Base interactions energy: -118.515
where: short stacking energy: -67.845
Base-Backbone interact. energy: -0.111
local terms energy: -73.793900
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -12.662
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: 9
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -200.404487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.404487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.404487 (E_RNA)
where:
Base-Base interactions energy: -124.121
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.001
local terms energy: -76.282159
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -184.432694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.432694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.432694 (E_RNA)
where:
Base-Base interactions energy: -120.114
where: short stacking energy: -56.725
Base-Backbone interact. energy: -0.035
local terms energy: -64.283923
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -176.562838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.562838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.562838 (E_RNA)
where:
Base-Base interactions energy: -106.268
where: short stacking energy: -53.190
Base-Backbone interact. energy: -0.440
local terms energy: -69.854876
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -169.167852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.167852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.167852 (E_RNA)
where:
Base-Base interactions energy: -110.417
where: short stacking energy: -46.667
Base-Backbone interact. energy: -0.040
local terms energy: -58.710815
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -12.851
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -185.104789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.104789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.104789 (E_RNA)
where:
Base-Base interactions energy: -108.740
where: short stacking energy: -65.986
Base-Backbone interact. energy: -0.333
local terms energy: -76.032179
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -110.481176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.481176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.481176 (E_RNA)
where:
Base-Base interactions energy: -49.421
where: short stacking energy: -36.125
Base-Backbone interact. energy: 0.152
local terms energy: -61.211763
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -4.732
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -89.743081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.743081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.743081 (E_RNA)
where:
Base-Base interactions energy: -39.277
where: short stacking energy: -37.204
Base-Backbone interact. energy: 2.786
local terms energy: -53.252107
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -80.877195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.877195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.877195 (E_RNA)
where:
Base-Base interactions energy: -32.241
where: short stacking energy: -25.515
Base-Backbone interact. energy: -0.041
local terms energy: -48.594960
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -7.544
tors. eta vs tors. theta energy: -4.413
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: 10, replica: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -80.773836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.773836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.773836 (E_RNA)
where:
Base-Base interactions energy: -27.341
where: short stacking energy: -24.199
Base-Backbone interact. energy: -0.177
local terms energy: -53.256123
where:
bonds (distance) C4'-P energy: -7.600
bonds (distance) P-C4' energy: -14.460
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -10.187
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: 1, replica: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -208.690451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.690451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.690451 (E_RNA)
where:
Base-Base interactions energy: -133.720
where: short stacking energy: -64.275
Base-Backbone interact. energy: -0.002
local terms energy: -74.968715
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -17.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -192.687921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.687921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.687921 (E_RNA)
where:
Base-Base interactions energy: -118.759
where: short stacking energy: -62.122
Base-Backbone interact. energy: 0.060
local terms energy: -73.988720
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -196.250380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.250380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.250380 (E_RNA)
where:
Base-Base interactions energy: -127.879
where: short stacking energy: -58.749
Base-Backbone interact. energy: -0.131
local terms energy: -68.239821
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -176.775087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.775087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.775087 (E_RNA)
where:
Base-Base interactions energy: -110.355
where: short stacking energy: -48.735
Base-Backbone interact. energy: -0.645
local terms energy: -65.774914
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -14.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -155.009380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.009380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.009380 (E_RNA)
where:
Base-Base interactions energy: -93.522
where: short stacking energy: -40.499
Base-Backbone interact. energy: 0.571
local terms energy: -62.058984
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -8.123
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: 164
Temperature: 1.150000
Total energy: -149.566722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.566722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.566722 (E_RNA)
where:
Base-Base interactions energy: -91.574
where: short stacking energy: -42.235
Base-Backbone interact. energy: -0.005
local terms energy: -57.988204
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -7.527
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -87.818961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.818961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.818961 (E_RNA)
where:
Base-Base interactions energy: -38.842
where: short stacking energy: -27.541
Base-Backbone interact. energy: -0.381
local terms energy: -48.596636
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -9.547
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: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -80.642361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.642361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.642361 (E_RNA)
where:
Base-Base interactions energy: -35.442
where: short stacking energy: -23.994
Base-Backbone interact. energy: 0.730
local terms energy: -45.929753
where:
bonds (distance) C4'-P energy: -8.389
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: 1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -89.294709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.294709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.294709 (E_RNA)
where:
Base-Base interactions energy: -34.259
where: short stacking energy: -34.838
Base-Backbone interact. energy: -0.010
local terms energy: -55.025247
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -7.628
tors. eta vs tors. theta energy: -6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -83.626041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.626041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.626041 (E_RNA)
where:
Base-Base interactions energy: -26.210
where: short stacking energy: -24.157
Base-Backbone interact. energy: -0.663
local terms energy: -56.752368
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -5.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -206.417697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.417697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.417697 (E_RNA)
where:
Base-Base interactions energy: -129.877
where: short stacking energy: -56.180
Base-Backbone interact. energy: -0.312
local terms energy: -76.229201
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -17.184
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: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -200.221826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.221826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.221826 (E_RNA)
where:
Base-Base interactions energy: -128.218
where: short stacking energy: -65.518
Base-Backbone interact. energy: -0.048
local terms energy: -71.955381
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -189.253587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.253587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.253587 (E_RNA)
where:
Base-Base interactions energy: -117.013
where: short stacking energy: -43.093
Base-Backbone interact. energy: 0.034
local terms energy: -72.274363
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -10.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -164.548756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.548756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.548756 (E_RNA)
where:
Base-Base interactions energy: -100.427
where: short stacking energy: -49.268
Base-Backbone interact. energy: -0.175
local terms energy: -63.946865
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -9.948
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: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -175.549204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.549204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.549204 (E_RNA)
where:
Base-Base interactions energy: -108.952
where: short stacking energy: -58.498
Base-Backbone interact. energy: -0.005
local terms energy: -66.591636
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -166.422155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.422155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.422155 (E_RNA)
where:
Base-Base interactions energy: -102.544
where: short stacking energy: -51.514
Base-Backbone interact. energy: -0.067
local terms energy: -63.811021
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -11.607
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -8.974
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: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -78.299624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.299624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.299624 (E_RNA)
where:
Base-Base interactions energy: -25.962
where: short stacking energy: -24.571
Base-Backbone interact. energy: -0.369
local terms energy: -51.968513
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -82.440739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.440739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.440739 (E_RNA)
where:
Base-Base interactions energy: -29.041
where: short stacking energy: -28.966
Base-Backbone interact. energy: -0.308
local terms energy: -53.092358
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -80.006722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.006722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.006722 (E_RNA)
where:
Base-Base interactions energy: -25.988
where: short stacking energy: -18.390
Base-Backbone interact. energy: -0.292
local terms energy: -53.727043
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -18.870
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: 4.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -75.801483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.801483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.801483 (E_RNA)
where:
Base-Base interactions energy: -31.690
where: short stacking energy: -13.182
Base-Backbone interact. energy: -0.403
local terms energy: -43.708003
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -8.031
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: 3.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -204.195586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.195586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.195586 (E_RNA)
where:
Base-Base interactions energy: -131.059
where: short stacking energy: -62.257
Base-Backbone interact. energy: -0.148
local terms energy: -72.989079
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -201.910893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.910893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.910893 (E_RNA)
where:
Base-Base interactions energy: -133.151
where: short stacking energy: -58.077
Base-Backbone interact. energy: -0.007
local terms energy: -68.752643
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -15.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -180.655428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.655428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.655428 (E_RNA)
where:
Base-Base interactions energy: -111.370
where: short stacking energy: -47.570
Base-Backbone interact. energy: -0.083
local terms energy: -69.202503
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -15.429
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -7.842
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: 8
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -173.835086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.835086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.835086 (E_RNA)
where:
Base-Base interactions energy: -108.366
where: short stacking energy: -43.288
Base-Backbone interact. energy: -0.063
local terms energy: -65.405876
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -11.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -174.296350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.296350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.296350 (E_RNA)
where:
Base-Base interactions energy: -110.511
where: short stacking energy: -49.662
Base-Backbone interact. energy: -0.002
local terms energy: -63.783130
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -9.130
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: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -164.671609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.671609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.671609 (E_RNA)
where:
Base-Base interactions energy: -107.720
where: short stacking energy: -53.158
Base-Backbone interact. energy: -0.002
local terms energy: -56.949163
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -1.040
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -88.536165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.536165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.536165 (E_RNA)
where:
Base-Base interactions energy: -40.676
where: short stacking energy: -38.426
Base-Backbone interact. energy: -0.162
local terms energy: -47.698519
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -1.972
tors. eta vs tors. theta energy: -5.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -101.481268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.481268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.481268 (E_RNA)
where:
Base-Base interactions energy: -47.729
where: short stacking energy: -29.375
Base-Backbone interact. energy: -0.176
local terms energy: -53.576442
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -2.788
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: 4
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -83.851527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.851527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.851527 (E_RNA)
where:
Base-Base interactions energy: -30.680
where: short stacking energy: -22.940
Base-Backbone interact. energy: -0.210
local terms energy: -52.960888
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -4.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -66.695518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.695518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.695518 (E_RNA)
where:
Base-Base interactions energy: -15.898
where: short stacking energy: -15.898
Base-Backbone interact. energy: -0.119
local terms energy: -50.678432
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -2.940
tors. eta vs tors. theta energy: -0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -203.724297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.724297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.724297 (E_RNA)
where:
Base-Base interactions energy: -126.078
where: short stacking energy: -55.171
Base-Backbone interact. energy: -0.556
local terms energy: -77.089784
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -14.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -190.724859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.724859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.724859 (E_RNA)
where:
Base-Base interactions energy: -121.417
where: short stacking energy: -57.604
Base-Backbone interact. energy: -1.326
local terms energy: -67.981832
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -16.495
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: 167
Temperature: 1.000000
Total energy: -189.008918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.008918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.008918 (E_RNA)
where:
Base-Base interactions energy: -113.218
where: short stacking energy: -62.307
Base-Backbone interact. energy: -0.458
local terms energy: -75.332947
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -18.745
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: 4, replica: 8
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -183.047134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.047134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.047134 (E_RNA)
where:
Base-Base interactions energy: -116.874
where: short stacking energy: -63.665
Base-Backbone interact. energy: -0.002
local terms energy: -66.170765
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -165.980834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.980834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.980834 (E_RNA)
where:
Base-Base interactions energy: -103.687
where: short stacking energy: -44.211
Base-Backbone interact. energy: -0.359
local terms energy: -61.934778
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -14.684
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -9.757
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: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -167.522415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.522415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.522415 (E_RNA)
where:
Base-Base interactions energy: -100.910
where: short stacking energy: -43.261
Base-Backbone interact. energy: -0.877
local terms energy: -65.735984
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -11.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -90.719905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.719905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.719905 (E_RNA)
where:
Base-Base interactions energy: -38.080
where: short stacking energy: -28.786
Base-Backbone interact. energy: -0.063
local terms energy: -52.576266
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -9.917
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -6.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -81.524152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.524152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.524152 (E_RNA)
where:
Base-Base interactions energy: -24.958
where: short stacking energy: -24.958
Base-Backbone interact. energy: -0.268
local terms energy: -56.298561
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -83.985138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.985138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.985138 (E_RNA)
where:
Base-Base interactions energy: -34.933
where: short stacking energy: -34.254
Base-Backbone interact. energy: -0.103
local terms energy: -48.949517
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -9.676
flat angles P-C4'-P energy: -7.220
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -82.367769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.367769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.367769 (E_RNA)
where:
Base-Base interactions energy: -32.317
where: short stacking energy: -27.575
Base-Backbone interact. energy: -0.112
local terms energy: -49.938721
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -7.142
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: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -198.115794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.115794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.115794 (E_RNA)
where:
Base-Base interactions energy: -119.304
where: short stacking energy: -63.405
Base-Backbone interact. energy: 0.087
local terms energy: -78.899428
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -12.127
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: 2, replica: 5
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -199.838705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.838705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.838705 (E_RNA)
where:
Base-Base interactions energy: -133.706
where: short stacking energy: -61.040
Base-Backbone interact. energy: -0.320
local terms energy: -65.812185
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -190.882367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.882367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.882367 (E_RNA)
where:
Base-Base interactions energy: -121.270
where: short stacking energy: -63.418
Base-Backbone interact. energy: -0.020
local terms energy: -69.592071
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -17.326
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: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -193.090239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.090239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.090239 (E_RNA)
where:
Base-Base interactions energy: -122.012
where: short stacking energy: -54.791
Base-Backbone interact. energy: -0.508
local terms energy: -70.569321
where:
bonds (distance) C4'-P energy: -9.922
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -179.648851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.648851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.648851 (E_RNA)
where:
Base-Base interactions energy: -110.168
where: short stacking energy: -57.758
Base-Backbone interact. energy: -0.001
local terms energy: -69.480071
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -157.775471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.775471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.775471 (E_RNA)
where:
Base-Base interactions energy: -90.948
where: short stacking energy: -47.314
Base-Backbone interact. energy: -0.766
local terms energy: -66.061566
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -11.165
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: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -84.829622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.829622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.829622 (E_RNA)
where:
Base-Base interactions energy: -33.450
where: short stacking energy: -29.340
Base-Backbone interact. energy: 0.202
local terms energy: -51.582222
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -10.579
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -3.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -102.830435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.830435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.830435 (E_RNA)
where:
Base-Base interactions energy: -44.814
where: short stacking energy: -34.285
Base-Backbone interact. energy: -0.010
local terms energy: -58.006334
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -11.394
flat angles P-C4'-P energy: -8.029
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -78.500406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.500406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.500406 (E_RNA)
where:
Base-Base interactions energy: -28.894
where: short stacking energy: -28.008
Base-Backbone interact. energy: -0.100
local terms energy: -49.506199
where:
bonds (distance) C4'-P energy: -9.404
bonds (distance) P-C4' energy: -12.933
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -5.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -74.497317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.497317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.497317 (E_RNA)
where:
Base-Base interactions energy: -22.666
where: short stacking energy: -22.042
Base-Backbone interact. energy: -0.395
local terms energy: -51.436407
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -9.574
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: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -197.280989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.280989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.280989 (E_RNA)
where:
Base-Base interactions energy: -122.903
where: short stacking energy: -57.759
Base-Backbone interact. energy: -0.134
local terms energy: -74.244664
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -13.697
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: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -197.922513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.922513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.922513 (E_RNA)
where:
Base-Base interactions energy: -126.895
where: short stacking energy: -57.845
Base-Backbone interact. energy: -0.293
local terms energy: -70.734288
where:
bonds (distance) C4'-P energy: -13.727
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -199.078234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.078234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.078234 (E_RNA)
where:
Base-Base interactions energy: -133.139
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.611
local terms energy: -65.327818
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -171.778900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.778900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.778900 (E_RNA)
where:
Base-Base interactions energy: -101.024
where: short stacking energy: -45.876
Base-Backbone interact. energy: -0.015
local terms energy: -70.740470
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -14.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -183.445967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.445967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.445967 (E_RNA)
where:
Base-Base interactions energy: -118.005
where: short stacking energy: -55.959
Base-Backbone interact. energy: -0.102
local terms energy: -65.339960
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -14.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -159.262058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.262058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.262058 (E_RNA)
where:
Base-Base interactions energy: -104.086
where: short stacking energy: -40.814
Base-Backbone interact. energy: -0.457
local terms energy: -54.719050
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -5.307
tors. eta vs tors. theta energy: -11.985
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: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -89.812637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.812637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.812637 (E_RNA)
where:
Base-Base interactions energy: -41.049
where: short stacking energy: -35.616
Base-Backbone interact. energy: -0.071
local terms energy: -48.692175
where:
bonds (distance) C4'-P energy: -6.770
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -4.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -85.258854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.258854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.258854 (E_RNA)
where:
Base-Base interactions energy: -30.406
where: short stacking energy: -29.453
Base-Backbone interact. energy: -0.330
local terms energy: -54.523689
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -11.675
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -82.270608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.270608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.270608 (E_RNA)
where:
Base-Base interactions energy: -29.105
where: short stacking energy: -20.611
Base-Backbone interact. energy: -0.108
local terms energy: -53.057419
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -7.615
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -76.883538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.883538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.883538 (E_RNA)
where:
Base-Base interactions energy: -32.186
where: short stacking energy: -21.743
Base-Backbone interact. energy: -0.440
local terms energy: -44.257235
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -7.754
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -0.201
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: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -206.766344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.766344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.766344 (E_RNA)
where:
Base-Base interactions energy: -129.677
where: short stacking energy: -64.819
Base-Backbone interact. energy: -0.652
local terms energy: -76.437603
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -22.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -192.879286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.879286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.879286 (E_RNA)
where:
Base-Base interactions energy: -114.948
where: short stacking energy: -59.735
Base-Backbone interact. energy: -0.094
local terms energy: -77.837363
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -18.753
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: 2
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -190.566336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.566336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.566336 (E_RNA)
where:
Base-Base interactions energy: -117.079
where: short stacking energy: -57.724
Base-Backbone interact. energy: -0.242
local terms energy: -73.245424
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -5.277
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: 5
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -184.567403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.567403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.567403 (E_RNA)
where:
Base-Base interactions energy: -113.455
where: short stacking energy: -56.230
Base-Backbone interact. energy: -0.116
local terms energy: -70.995842
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -13.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -145.163203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.163203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.163203 (E_RNA)
where:
Base-Base interactions energy: -87.916
where: short stacking energy: -28.952
Base-Backbone interact. energy: 0.019
local terms energy: -57.266251
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -170.685336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.685336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.685336 (E_RNA)
where:
Base-Base interactions energy: -112.718
where: short stacking energy: -48.309
Base-Backbone interact. energy: -0.249
local terms energy: -57.718754
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -7.062
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -13.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -83.537955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.537955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.537955 (E_RNA)
where:
Base-Base interactions energy: -29.218
where: short stacking energy: -28.433
Base-Backbone interact. energy: -0.049
local terms energy: -54.270498
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -8.428
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -81.034533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.034533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.034533 (E_RNA)
where:
Base-Base interactions energy: -30.192
where: short stacking energy: -25.528
Base-Backbone interact. energy: -0.985
local terms energy: -49.857810
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -10.326
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: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -80.831551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.831551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.831551 (E_RNA)
where:
Base-Base interactions energy: -36.816
where: short stacking energy: -26.237
Base-Backbone interact. energy: -0.393
local terms energy: -43.622583
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -4.234
tors. eta vs tors. theta energy: -0.732
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: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -80.921289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.921289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.921289 (E_RNA)
where:
Base-Base interactions energy: -31.140
where: short stacking energy: -25.045
Base-Backbone interact. energy: -0.480
local terms energy: -49.300674
where:
bonds (distance) C4'-P energy: -8.932
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -9.234
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -200.540297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.540297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.540297 (E_RNA)
where:
Base-Base interactions energy: -124.989
where: short stacking energy: -63.820
Base-Backbone interact. energy: -0.153
local terms energy: -75.398145
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -7.747
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: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -197.449577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.449577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.449577 (E_RNA)
where:
Base-Base interactions energy: -137.132
where: short stacking energy: -50.703
Base-Backbone interact. energy: -0.473
local terms energy: -59.844372
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -8.359
flat angles C4'-P-C4' energy: -8.814
flat angles P-C4'-P energy: -10.903
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: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -174.147653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.147653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.147653 (E_RNA)
where:
Base-Base interactions energy: -104.093
where: short stacking energy: -48.762
Base-Backbone interact. energy: -0.215
local terms energy: -69.839124
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -11.169
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: 4, replica: 10
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -158.494980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.494980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.494980 (E_RNA)
where:
Base-Base interactions energy: -95.766
where: short stacking energy: -40.837
Base-Backbone interact. energy: -0.069
local terms energy: -62.660018
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -181.399250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.399250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.399250 (E_RNA)
where:
Base-Base interactions energy: -116.395
where: short stacking energy: -54.300
Base-Backbone interact. energy: -0.006
local terms energy: -64.998849
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -10.267
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -156.661016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.661016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.661016 (E_RNA)
where:
Base-Base interactions energy: -92.898
where: short stacking energy: -49.605
Base-Backbone interact. energy: -0.038
local terms energy: -63.724459
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -13.278
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: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -84.092754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.092754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.092754 (E_RNA)
where:
Base-Base interactions energy: -33.257
where: short stacking energy: -33.257
Base-Backbone interact. energy: -0.132
local terms energy: -50.704006
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -3.308
tors. eta vs tors. theta energy: -6.670
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: 171
Temperature: 1.250000
Total energy: -92.571928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.571928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.571928 (E_RNA)
where:
Base-Base interactions energy: -42.012
where: short stacking energy: -22.354
Base-Backbone interact. energy: -0.447
local terms energy: -50.112503
where:
bonds (distance) C4'-P energy: -12.936
bonds (distance) P-C4' energy: -14.929
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -6.500
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: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -103.627818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.627818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.627818 (E_RNA)
where:
Base-Base interactions energy: -51.520
where: short stacking energy: -29.718
Base-Backbone interact. energy: -0.041
local terms energy: -52.067545
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -71.681720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.681720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.681720 (E_RNA)
where:
Base-Base interactions energy: -27.714
where: short stacking energy: -27.714
Base-Backbone interact. energy: -0.050
local terms energy: -43.917270
where:
bonds (distance) C4'-P energy: -10.589
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -215.265429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.265429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.265429 (E_RNA)
where:
Base-Base interactions energy: -134.078
where: short stacking energy: -56.678
Base-Backbone interact. energy: -0.415
local terms energy: -80.772471
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -15.806
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: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -202.645142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.645142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645142 (E_RNA)
where:
Base-Base interactions energy: -131.530
where: short stacking energy: -69.800
Base-Backbone interact. energy: -0.000
local terms energy: -71.114443
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -9.608
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -182.461234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.461234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.461234 (E_RNA)
where:
Base-Base interactions energy: -109.824
where: short stacking energy: -54.575
Base-Backbone interact. energy: -0.424
local terms energy: -72.213847
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -174.527519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.527519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.527519 (E_RNA)
where:
Base-Base interactions energy: -105.759
where: short stacking energy: -43.274
Base-Backbone interact. energy: -0.661
local terms energy: -68.106646
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -181.683015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.683015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.683015 (E_RNA)
where:
Base-Base interactions energy: -124.459
where: short stacking energy: -60.178
Base-Backbone interact. energy: -0.378
local terms energy: -56.846188
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -9.364
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: 5
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -154.285922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.285922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.285922 (E_RNA)
where:
Base-Base interactions energy: -104.230
where: short stacking energy: -50.957
Base-Backbone interact. energy: -0.138
local terms energy: -49.918217
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -9.253
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -0.002
tors. eta vs tors. theta energy: -10.632
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: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -99.511408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.511408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.511408 (E_RNA)
where:
Base-Base interactions energy: -44.303
where: short stacking energy: -33.864
Base-Backbone interact. energy: -0.162
local terms energy: -55.045899
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -5.505
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: 8, replica: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -81.091614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.091614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.091614 (E_RNA)
where:
Base-Base interactions energy: -32.184
where: short stacking energy: -29.318
Base-Backbone interact. energy: -0.965
local terms energy: -47.942231
where:
bonds (distance) C4'-P energy: -8.786
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -78.660868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.660868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.660868 (E_RNA)
where:
Base-Base interactions energy: -22.333
where: short stacking energy: -21.511
Base-Backbone interact. energy: -0.433
local terms energy: -55.895008
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -11.062
flat angles P-C4'-P energy: -11.411
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: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -72.584576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.584576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.584576 (E_RNA)
where:
Base-Base interactions energy: -30.117
where: short stacking energy: -22.454
Base-Backbone interact. energy: -0.302
local terms energy: -42.165083
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -11.499
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: 3.342
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: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -212.465089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.465089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.465089 (E_RNA)
where:
Base-Base interactions energy: -143.048
where: short stacking energy: -60.213
Base-Backbone interact. energy: -0.567
local terms energy: -68.850285
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -17.525
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: 8
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -206.391831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.391831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.391831 (E_RNA)
where:
Base-Base interactions energy: -136.523
where: short stacking energy: -66.600
Base-Backbone interact. energy: -0.001
local terms energy: -69.867560
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -189.969879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.969879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.969879 (E_RNA)
where:
Base-Base interactions energy: -122.300
where: short stacking energy: -52.203
Base-Backbone interact. energy: -0.227
local terms energy: -67.443069
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -169.091103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.091103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.091103 (E_RNA)
where:
Base-Base interactions energy: -103.407
where: short stacking energy: -60.948
Base-Backbone interact. energy: -0.192
local terms energy: -65.491365
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -17.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -162.702019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.702019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.702019 (E_RNA)
where:
Base-Base interactions energy: -103.215
where: short stacking energy: -40.213
Base-Backbone interact. energy: -0.574
local terms energy: -58.912671
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -6.553
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: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -165.614555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.614555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.614555 (E_RNA)
where:
Base-Base interactions energy: -112.606
where: short stacking energy: -49.052
Base-Backbone interact. energy: -0.002
local terms energy: -53.006565
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -3.399
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -80.701662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.701662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.701662 (E_RNA)
where:
Base-Base interactions energy: -39.809
where: short stacking energy: -35.075
Base-Backbone interact. energy: 1.084
local terms energy: -41.976385
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -9.335
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -2.100
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: 1
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -84.194719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.194719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.194719 (E_RNA)
where:
Base-Base interactions energy: -31.647
where: short stacking energy: -26.874
Base-Backbone interact. energy: -0.102
local terms energy: -52.445395
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -4.459
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: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -81.764665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.764665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.764665 (E_RNA)
where:
Base-Base interactions energy: -30.395
where: short stacking energy: -30.395
Base-Backbone interact. energy: -0.253
local terms energy: -51.116664
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -76.526728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.526728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.526728 (E_RNA)
where:
Base-Base interactions energy: -27.140
where: short stacking energy: -26.344
Base-Backbone interact. energy: -0.188
local terms energy: -49.198641
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -203.648679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.648679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.648679 (E_RNA)
where:
Base-Base interactions energy: -133.783
where: short stacking energy: -59.070
Base-Backbone interact. energy: -0.065
local terms energy: -69.800638
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -191.842642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.842642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.842642 (E_RNA)
where:
Base-Base interactions energy: -124.868
where: short stacking energy: -54.106
Base-Backbone interact. energy: -0.283
local terms energy: -66.692180
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.433
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -7.486
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -183.955056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.955056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.955056 (E_RNA)
where:
Base-Base interactions energy: -109.913
where: short stacking energy: -55.358
Base-Backbone interact. energy: -0.002
local terms energy: -74.040022
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -12.428
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -19.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -173.141067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.141067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.141067 (E_RNA)
where:
Base-Base interactions energy: -110.532
where: short stacking energy: -54.029
Base-Backbone interact. energy: -0.104
local terms energy: -62.504818
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -10.895
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -16.143
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: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -177.675288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.675288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.675288 (E_RNA)
where:
Base-Base interactions energy: -118.955
where: short stacking energy: -48.252
Base-Backbone interact. energy: -0.301
local terms energy: -58.419542
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -6.562
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: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -154.728103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.728103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.728103 (E_RNA)
where:
Base-Base interactions energy: -97.988
where: short stacking energy: -46.592
Base-Backbone interact. energy: -0.037
local terms energy: -56.703743
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -5.630
tors. eta vs tors. theta energy: -12.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -86.090095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.090095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.090095 (E_RNA)
where:
Base-Base interactions energy: -31.232
where: short stacking energy: -30.885
Base-Backbone interact. energy: -0.184
local terms energy: -54.674010
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -10.380
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -84.420371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.420371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.420371 (E_RNA)
where:
Base-Base interactions energy: -34.337
where: short stacking energy: -34.337
Base-Backbone interact. energy: -0.136
local terms energy: -49.946970
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -12.127
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -5.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -75.728491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.728491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.728491 (E_RNA)
where:
Base-Base interactions energy: -25.798
where: short stacking energy: -19.542
Base-Backbone interact. energy: 1.180
local terms energy: -51.110735
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -1.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -79.706637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.706637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.706637 (E_RNA)
where:
Base-Base interactions energy: -25.929
where: short stacking energy: -24.450
Base-Backbone interact. energy: -0.200
local terms energy: -53.577150
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -8.884
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -10.102
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: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -200.794415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.794415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.794415 (E_RNA)
where:
Base-Base interactions energy: -131.803
where: short stacking energy: -56.571
Base-Backbone interact. energy: -0.369
local terms energy: -68.621849
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -200.537356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.537356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.537356 (E_RNA)
where:
Base-Base interactions energy: -130.094
where: short stacking energy: -60.658
Base-Backbone interact. energy: 1.304
local terms energy: -71.747157
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -19.739
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: 3
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -195.684167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.684167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.684167 (E_RNA)
where:
Base-Base interactions energy: -125.057
where: short stacking energy: -48.018
Base-Backbone interact. energy: -0.421
local terms energy: -70.205824
where:
bonds (distance) C4'-P energy: -17.045
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -181.472889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.472889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.472889 (E_RNA)
where:
Base-Base interactions energy: -117.285
where: short stacking energy: -47.278
Base-Backbone interact. energy: -0.005
local terms energy: -64.183039
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -182.332011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.332011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.332011 (E_RNA)
where:
Base-Base interactions energy: -112.477
where: short stacking energy: -53.076
Base-Backbone interact. energy: -0.051
local terms energy: -69.804142
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -100.499496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.499496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.499496 (E_RNA)
where:
Base-Base interactions energy: -46.057
where: short stacking energy: -42.518
Base-Backbone interact. energy: -0.186
local terms energy: -54.257091
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -7.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -143.868108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.868108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.868108 (E_RNA)
where:
Base-Base interactions energy: -89.744
where: short stacking energy: -39.044
Base-Backbone interact. energy: -0.333
local terms energy: -53.790746
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -101.144044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.144044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.144044 (E_RNA)
where:
Base-Base interactions energy: -42.227
where: short stacking energy: -36.599
Base-Backbone interact. energy: -0.945
local terms energy: -57.971859
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -11.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -84.005587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.005587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.005587 (E_RNA)
where:
Base-Base interactions energy: -34.989
where: short stacking energy: -34.591
Base-Backbone interact. energy: -0.185
local terms energy: -48.831154
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -10.038
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -6.605
tors. eta vs tors. theta energy: -6.732
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: 10, replica: 4
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -86.899566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.899566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.899566 (E_RNA)
where:
Base-Base interactions energy: -38.616
where: short stacking energy: -38.616
Base-Backbone interact. energy: -0.085
local terms energy: -48.199078
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -2.787
tors. eta vs tors. theta energy: -7.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -211.205973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.205973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.205973 (E_RNA)
where:
Base-Base interactions energy: -125.679
where: short stacking energy: -60.305
Base-Backbone interact. energy: -0.944
local terms energy: -84.582553
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -19.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -188.119208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.119208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.119208 (E_RNA)
where:
Base-Base interactions energy: -114.983
where: short stacking energy: -61.454
Base-Backbone interact. energy: -0.537
local terms energy: -72.599206
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -203.302554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.302554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.302554 (E_RNA)
where:
Base-Base interactions energy: -124.375
where: short stacking energy: -62.399
Base-Backbone interact. energy: -0.001
local terms energy: -78.927004
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -19.508
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: 176
Temperature: 1.050000
Total energy: -183.062387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.062387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.062387 (E_RNA)
where:
Base-Base interactions energy: -121.122
where: short stacking energy: -54.826
Base-Backbone interact. energy: -0.519
local terms energy: -61.421751
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -171.179843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.179843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.179843 (E_RNA)
where:
Base-Base interactions energy: -104.942
where: short stacking energy: -51.902
Base-Backbone interact. energy: -0.026
local terms energy: -66.211122
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -88.191123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.191123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.191123 (E_RNA)
where:
Base-Base interactions energy: -32.808
where: short stacking energy: -29.339
Base-Backbone interact. energy: -0.002
local terms energy: -55.381536
where:
bonds (distance) C4'-P energy: -8.103
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -157.496919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.496919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.496919 (E_RNA)
where:
Base-Base interactions energy: -98.583
where: short stacking energy: -39.818
Base-Backbone interact. energy: -0.157
local terms energy: -58.756605
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -12.657
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -9.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -105.290464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.290464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.290464 (E_RNA)
where:
Base-Base interactions energy: -54.137
where: short stacking energy: -36.564
Base-Backbone interact. energy: -0.115
local terms energy: -51.037737
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -8.471
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -8.817
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: 9, replica: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -76.539831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.539831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.539831 (E_RNA)
where:
Base-Base interactions energy: -26.303
where: short stacking energy: -20.913
Base-Backbone interact. energy: -0.144
local terms energy: -50.093161
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -8.817
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -7.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -74.270933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.270933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.270933 (E_RNA)
where:
Base-Base interactions energy: -23.661
where: short stacking energy: -19.416
Base-Backbone interact. energy: -0.217
local terms energy: -50.392445
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -13.714
flat angles P-C4'-P energy: -7.441
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: 1, replica: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -203.075888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.075888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.075888 (E_RNA)
where:
Base-Base interactions energy: -131.183
where: short stacking energy: -60.707
Base-Backbone interact. energy: -0.709
local terms energy: -71.183924
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -10.840
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: 2, replica: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -202.831221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.831221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.831221 (E_RNA)
where:
Base-Base interactions energy: -126.411
where: short stacking energy: -57.995
Base-Backbone interact. energy: -1.651
local terms energy: -74.769742
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -181.661336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.661336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.661336 (E_RNA)
where:
Base-Base interactions energy: -111.246
where: short stacking energy: -49.263
Base-Backbone interact. energy: -0.073
local terms energy: -70.342208
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -14.421
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: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -187.118265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.118265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.118265 (E_RNA)
where:
Base-Base interactions energy: -123.840
where: short stacking energy: -54.242
Base-Backbone interact. energy: -1.376
local terms energy: -61.901916
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -9.164
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: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -160.743888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.743888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.743888 (E_RNA)
where:
Base-Base interactions energy: -102.955
where: short stacking energy: -53.407
Base-Backbone interact. energy: -0.126
local terms energy: -57.662929
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -10.750
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: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -134.661656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.661656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.661656 (E_RNA)
where:
Base-Base interactions energy: -85.309
where: short stacking energy: -36.655
Base-Backbone interact. energy: -0.099
local terms energy: -49.253572
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -8.122
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -12.927
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: 177
Temperature: 1.200000
Total energy: -95.846712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.846712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.846712 (E_RNA)
where:
Base-Base interactions energy: -38.175
where: short stacking energy: -38.088
Base-Backbone interact. energy: -0.004
local terms energy: -57.667513
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -12.224
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -4.749
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: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -87.442431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.442431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.442431 (E_RNA)
where:
Base-Base interactions energy: -41.010
where: short stacking energy: -31.786
Base-Backbone interact. energy: -0.213
local terms energy: -46.219324
where:
bonds (distance) C4'-P energy: -10.879
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -11.401
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: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -73.658961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.658961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.658961 (E_RNA)
where:
Base-Base interactions energy: -28.172
where: short stacking energy: -27.023
Base-Backbone interact. energy: -0.100
local terms energy: -45.386789
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -0.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -73.407504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.407504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.407504 (E_RNA)
where:
Base-Base interactions energy: -24.777
where: short stacking energy: -24.777
Base-Backbone interact. energy: 0.018
local terms energy: -48.648288
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -4.865
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: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -208.234942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.234942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.234942 (E_RNA)
where:
Base-Base interactions energy: -145.802
where: short stacking energy: -55.217
Base-Backbone interact. energy: 0.298
local terms energy: -62.730679
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -200.720273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.720273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.720273 (E_RNA)
where:
Base-Base interactions energy: -132.672
where: short stacking energy: -64.269
Base-Backbone interact. energy: -0.001
local terms energy: -68.047543
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -3.638
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -184.981716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.981716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.981716 (E_RNA)
where:
Base-Base interactions energy: -123.676
where: short stacking energy: -65.897
Base-Backbone interact. energy: -0.086
local terms energy: -61.219715
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -188.222524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.222524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.222524 (E_RNA)
where:
Base-Base interactions energy: -128.523
where: short stacking energy: -58.835
Base-Backbone interact. energy: 0.084
local terms energy: -59.782993
where:
bonds (distance) C4'-P energy: -9.486
bonds (distance) P-C4' energy: -9.835
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -17.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -148.838032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.838032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.838032 (E_RNA)
where:
Base-Base interactions energy: -93.619
where: short stacking energy: -49.565
Base-Backbone interact. energy: -0.122
local terms energy: -55.097304
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -4.743
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -13.170
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: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -101.856410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.856410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.856410 (E_RNA)
where:
Base-Base interactions energy: -59.746
where: short stacking energy: -40.555
Base-Backbone interact. energy: -0.387
local terms energy: -41.723139
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -10.079
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: -2.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -96.177835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.177835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.177835 (E_RNA)
where:
Base-Base interactions energy: -38.495
where: short stacking energy: -36.355
Base-Backbone interact. energy: -0.108
local terms energy: -57.575265
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -6.632
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: 8, replica: 1
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -87.528075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.528075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.528075 (E_RNA)
where:
Base-Base interactions energy: -34.058
where: short stacking energy: -28.968
Base-Backbone interact. energy: -0.155
local terms energy: -53.314573
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -3.197
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: 178
Temperature: 1.300000
Total energy: -92.016422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.016422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.016422 (E_RNA)
where:
Base-Base interactions energy: -31.896
where: short stacking energy: -31.896
Base-Backbone interact. energy: -0.072
local terms energy: -60.048035
where:
bonds (distance) C4'-P energy: -13.394
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -10.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -77.285662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.285662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.285662 (E_RNA)
where:
Base-Base interactions energy: -30.154
where: short stacking energy: -24.266
Base-Backbone interact. energy: -0.113
local terms energy: -47.019343
where:
bonds (distance) C4'-P energy: -8.270
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -0.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -202.178869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.178869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.178869 (E_RNA)
where:
Base-Base interactions energy: -134.589
where: short stacking energy: -59.700
Base-Backbone interact. energy: -0.338
local terms energy: -67.251444
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -199.989858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.989858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.989858 (E_RNA)
where:
Base-Base interactions energy: -128.921
where: short stacking energy: -57.464
Base-Backbone interact. energy: -0.003
local terms energy: -71.065504
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -184.105948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.105948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.105948 (E_RNA)
where:
Base-Base interactions energy: -114.138
where: short stacking energy: -50.595
Base-Backbone interact. energy: -1.169
local terms energy: -68.798990
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -12.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -186.242848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.242848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.242848 (E_RNA)
where:
Base-Base interactions energy: -117.392
where: short stacking energy: -61.542
Base-Backbone interact. energy: -1.383
local terms energy: -67.467781
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -18.956
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: 179
Temperature: 1.100000
Total energy: -163.970367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.970367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.970367 (E_RNA)
where:
Base-Base interactions energy: -103.754
where: short stacking energy: -47.491
Base-Backbone interact. energy: -0.035
local terms energy: -60.181577
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -10.491
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: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -104.955789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.955789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.955789 (E_RNA)
where:
Base-Base interactions energy: -57.567
where: short stacking energy: -28.567
Base-Backbone interact. energy: -0.144
local terms energy: -47.245160
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -1.866
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -95.424107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.424107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.424107 (E_RNA)
where:
Base-Base interactions energy: -39.146
where: short stacking energy: -38.295
Base-Backbone interact. energy: -0.202
local terms energy: -56.076486
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -6.509
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: 179
Temperature: 1.250000
Total energy: -86.325322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.325322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.325322 (E_RNA)
where:
Base-Base interactions energy: -30.683
where: short stacking energy: -30.537
Base-Backbone interact. energy: 0.342
local terms energy: -55.984779
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -8.969
tors. eta vs tors. theta energy: -8.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -74.774528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.774528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.774528 (E_RNA)
where:
Base-Base interactions energy: -31.121
where: short stacking energy: -31.121
Base-Backbone interact. energy: 0.582
local terms energy: -44.235952
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -9.847
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -2.126
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: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -82.840011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.840011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.840011 (E_RNA)
where:
Base-Base interactions energy: -37.315
where: short stacking energy: -19.942
Base-Backbone interact. energy: -0.118
local terms energy: -45.406455
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: 4.889
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: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -198.682933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.682933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.682933 (E_RNA)
where:
Base-Base interactions energy: -128.481
where: short stacking energy: -62.570
Base-Backbone interact. energy: -0.001
local terms energy: -70.201390
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -192.286346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.286346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.286346 (E_RNA)
where:
Base-Base interactions energy: -116.612
where: short stacking energy: -58.225
Base-Backbone interact. energy: -0.146
local terms energy: -75.528843
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -17.406
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -178.075002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.075002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.075002 (E_RNA)
where:
Base-Base interactions energy: -106.343
where: short stacking energy: -53.580
Base-Backbone interact. energy: -0.117
local terms energy: -71.614901
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -14.567
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: 180
Temperature: 1.050000
Total energy: -185.990498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.990498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.990498 (E_RNA)
where:
Base-Base interactions energy: -117.565
where: short stacking energy: -50.862
Base-Backbone interact. energy: 1.552
local terms energy: -69.977989
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -151.485597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.485597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.485597 (E_RNA)
where:
Base-Base interactions energy: -98.872
where: short stacking energy: -38.231
Base-Backbone interact. energy: -0.677
local terms energy: -51.936170
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -100.522994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.522994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.522994 (E_RNA)
where:
Base-Base interactions energy: -49.241
where: short stacking energy: -28.090
Base-Backbone interact. energy: -0.075
local terms energy: -51.207334
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -11.120
flat angles P-C4'-P energy: -4.937
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: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -88.394928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.394928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.394928 (E_RNA)
where:
Base-Base interactions energy: -36.927
where: short stacking energy: -33.923
Base-Backbone interact. energy: -0.061
local terms energy: -51.407084
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -5.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -83.191160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.191160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.191160 (E_RNA)
where:
Base-Base interactions energy: -34.009
where: short stacking energy: -34.009
Base-Backbone interact. energy: -0.199
local terms energy: -48.982955
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -10.482
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -4.559
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: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -84.664816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.664816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.664816 (E_RNA)
where:
Base-Base interactions energy: -25.422
where: short stacking energy: -25.082
Base-Backbone interact. energy: -0.130
local terms energy: -59.113358
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -14.185
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -6.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -79.067795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.067795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.067795 (E_RNA)
where:
Base-Base interactions energy: -35.208
where: short stacking energy: -27.255
Base-Backbone interact. energy: -0.755
local terms energy: -43.103974
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -12.360
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -5.596
tors. eta vs tors. theta energy: 0.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -205.864829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.864829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.864829 (E_RNA)
where:
Base-Base interactions energy: -134.668
where: short stacking energy: -62.982
Base-Backbone interact. energy: -0.026
local terms energy: -71.171131
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -10.040
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: 2, replica: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -197.366676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.366676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.366676 (E_RNA)
where:
Base-Base interactions energy: -122.776
where: short stacking energy: -58.800
Base-Backbone interact. energy: -0.039
local terms energy: -74.552225
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -175.669411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.669411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.669411 (E_RNA)
where:
Base-Base interactions energy: -113.385
where: short stacking energy: -51.721
Base-Backbone interact. energy: -0.038
local terms energy: -62.246666
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -8.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -157.811718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.811718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.811718 (E_RNA)
where:
Base-Base interactions energy: -101.598
where: short stacking energy: -33.037
Base-Backbone interact. energy: -0.264
local terms energy: -55.948813
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -172.490549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.490549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.490549 (E_RNA)
where:
Base-Base interactions energy: -112.803
where: short stacking energy: -63.081
Base-Backbone interact. energy: 0.488
local terms energy: -60.175534
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -12.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -97.059424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.059424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.059424 (E_RNA)
where:
Base-Base interactions energy: -44.364
where: short stacking energy: -32.436
Base-Backbone interact. energy: -0.093
local terms energy: -52.602610
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -5.288
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: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -94.070648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.070648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.070648 (E_RNA)
where:
Base-Base interactions energy: -46.406
where: short stacking energy: -20.882
Base-Backbone interact. energy: -0.071
local terms energy: -47.593595
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: 1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -79.101053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.101053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.101053 (E_RNA)
where:
Base-Base interactions energy: -28.735
where: short stacking energy: -28.735
Base-Backbone interact. energy: 0.425
local terms energy: -50.791478
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -0.982
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: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -81.827136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.827136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.827136 (E_RNA)
where:
Base-Base interactions energy: -42.337
where: short stacking energy: -28.942
Base-Backbone interact. energy: 1.040
local terms energy: -40.530516
where:
bonds (distance) C4'-P energy: -7.977
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -7.627
flat angles P-C4'-P energy: -6.856
tors. eta vs tors. theta energy: -3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -87.495146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.495146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.495146 (E_RNA)
where:
Base-Base interactions energy: -39.787
where: short stacking energy: -31.041
Base-Backbone interact. energy: -0.057
local terms energy: -47.650251
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -12.023
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: -5.377
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: 1, replica: 5
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -210.418968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.418968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.418968 (E_RNA)
where:
Base-Base interactions energy: -134.701
where: short stacking energy: -62.299
Base-Backbone interact. energy: -0.001
local terms energy: -75.716406
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -20.776
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: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -191.097511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.097511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.097511 (E_RNA)
where:
Base-Base interactions energy: -109.565
where: short stacking energy: -58.703
Base-Backbone interact. energy: -0.021
local terms energy: -81.511653
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -18.516
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: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -177.079752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.079752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.079752 (E_RNA)
where:
Base-Base interactions energy: -112.533
where: short stacking energy: -47.451
Base-Backbone interact. energy: -0.122
local terms energy: -64.425315
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -11.099
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: 4, replica: 2
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -151.900883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.900883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.900883 (E_RNA)
where:
Base-Base interactions energy: -86.529
where: short stacking energy: -47.584
Base-Backbone interact. energy: 0.911
local terms energy: -66.282884
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -9.231
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: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -170.276747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.276747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.276747 (E_RNA)
where:
Base-Base interactions energy: -106.463
where: short stacking energy: -48.694
Base-Backbone interact. energy: -0.129
local terms energy: -63.684551
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -8.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -107.231014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.231014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.231014 (E_RNA)
where:
Base-Base interactions energy: -52.322
where: short stacking energy: -36.455
Base-Backbone interact. energy: -0.233
local terms energy: -54.675609
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -7.117
tors. eta vs tors. theta energy: -8.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -90.512515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.512515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.512515 (E_RNA)
where:
Base-Base interactions energy: -36.685
where: short stacking energy: -32.085
Base-Backbone interact. energy: -0.026
local terms energy: -53.800733
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -100.454030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.454030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.454030 (E_RNA)
where:
Base-Base interactions energy: -45.831
where: short stacking energy: -24.975
Base-Backbone interact. energy: 1.100
local terms energy: -55.723658
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -1.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -85.625280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.625280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.625280 (E_RNA)
where:
Base-Base interactions energy: -37.700
where: short stacking energy: -22.585
Base-Backbone interact. energy: 0.117
local terms energy: -48.042630
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -10.020
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -84.115077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.115077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.115077 (E_RNA)
where:
Base-Base interactions energy: -33.602
where: short stacking energy: -23.880
Base-Backbone interact. energy: -0.148
local terms energy: -50.365363
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -7.926
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: 1, replica: 5
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -185.807739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.807739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.807739 (E_RNA)
where:
Base-Base interactions energy: -115.486
where: short stacking energy: -46.163
Base-Backbone interact. energy: -0.120
local terms energy: -70.201052
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -13.798
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: 10
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -189.424274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.424274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.424274 (E_RNA)
where:
Base-Base interactions energy: -122.795
where: short stacking energy: -49.277
Base-Backbone interact. energy: -0.942
local terms energy: -65.687383
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -15.464
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: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -189.470049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.470049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.470049 (E_RNA)
where:
Base-Base interactions energy: -117.966
where: short stacking energy: -55.909
Base-Backbone interact. energy: -0.026
local terms energy: -71.478246
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -167.308801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.308801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.308801 (E_RNA)
where:
Base-Base interactions energy: -111.753
where: short stacking energy: -48.029
Base-Backbone interact. energy: -0.302
local terms energy: -55.253575
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -8.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -158.502886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.502886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.502886 (E_RNA)
where:
Base-Base interactions energy: -91.462
where: short stacking energy: -44.000
Base-Backbone interact. energy: -0.327
local terms energy: -66.714053
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -9.632
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: 6, replica: 6
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -97.084223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.084223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.084223 (E_RNA)
where:
Base-Base interactions energy: -45.553
where: short stacking energy: -45.553
Base-Backbone interact. energy: -0.061
local terms energy: -51.470373
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -84.397519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.397519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.397519 (E_RNA)
where:
Base-Base interactions energy: -35.639
where: short stacking energy: -28.730
Base-Backbone interact. energy: -0.026
local terms energy: -48.732066
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -2.428
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: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -82.812894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.812894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.812894 (E_RNA)
where:
Base-Base interactions energy: -36.671
where: short stacking energy: -18.162
Base-Backbone interact. energy: -0.155
local terms energy: -45.987393
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -11.451
flat angles C4'-P-C4' energy: -9.147
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: 2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -87.125218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.125218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.125218 (E_RNA)
where:
Base-Base interactions energy: -31.514
where: short stacking energy: -31.514
Base-Backbone interact. energy: -0.004
local terms energy: -55.606846
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -75.888088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.888088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.888088 (E_RNA)
where:
Base-Base interactions energy: -30.557
where: short stacking energy: -16.786
Base-Backbone interact. energy: 0.993
local terms energy: -46.323681
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -2.023
tors. eta vs tors. theta energy: 0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -183.726232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.726232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.726232 (E_RNA)
where:
Base-Base interactions energy: -112.507
where: short stacking energy: -46.605
Base-Backbone interact. energy: -1.628
local terms energy: -69.591460
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -16.648
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -10.506
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: 5
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -190.949053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.949053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.949053 (E_RNA)
where:
Base-Base interactions energy: -117.952
where: short stacking energy: -50.537
Base-Backbone interact. energy: -0.748
local terms energy: -72.249132
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -12.266
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: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -180.110511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.110511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.110511 (E_RNA)
where:
Base-Base interactions energy: -121.286
where: short stacking energy: -47.193
Base-Backbone interact. energy: 0.915
local terms energy: -59.740057
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -188.364237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.364237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.364237 (E_RNA)
where:
Base-Base interactions energy: -117.820
where: short stacking energy: -66.704
Base-Backbone interact. energy: -0.304
local terms energy: -70.240867
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -163.346703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.346703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.346703 (E_RNA)
where:
Base-Base interactions energy: -99.115
where: short stacking energy: -45.386
Base-Backbone interact. energy: -1.520
local terms energy: -62.711038
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -5.699
tors. eta vs tors. theta energy: -13.420
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: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -85.903413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.903413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.903413 (E_RNA)
where:
Base-Base interactions energy: -31.047
where: short stacking energy: -31.047
Base-Backbone interact. energy: -0.164
local terms energy: -54.693009
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -4.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -93.996231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.996231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.996231 (E_RNA)
where:
Base-Base interactions energy: -33.174
where: short stacking energy: -32.403
Base-Backbone interact. energy: -0.128
local terms energy: -60.694477
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -11.322
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -11.026
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: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -79.914594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.914594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.914594 (E_RNA)
where:
Base-Base interactions energy: -24.524
where: short stacking energy: -21.783
Base-Backbone interact. energy: 0.062
local terms energy: -55.452947
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -3.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -79.416360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.416360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.416360 (E_RNA)
where:
Base-Base interactions energy: -24.841
where: short stacking energy: -24.841
Base-Backbone interact. energy: -0.085
local terms energy: -54.490200
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -78.730507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.730507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.730507 (E_RNA)
where:
Base-Base interactions energy: -32.389
where: short stacking energy: -25.261
Base-Backbone interact. energy: -0.222
local terms energy: -46.119807
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -190.538644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.538644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.538644 (E_RNA)
where:
Base-Base interactions energy: -116.981
where: short stacking energy: -52.845
Base-Backbone interact. energy: -0.408
local terms energy: -73.149887
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -195.090770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.090770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.090770 (E_RNA)
where:
Base-Base interactions energy: -131.384
where: short stacking energy: -61.549
Base-Backbone interact. energy: -0.052
local terms energy: -63.654639
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -9.886
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -16.266
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: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -163.159770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.159770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.159770 (E_RNA)
where:
Base-Base interactions energy: -101.612
where: short stacking energy: -36.700
Base-Backbone interact. energy: -0.157
local terms energy: -61.391449
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -4.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -191.166253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.166253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.166253 (E_RNA)
where:
Base-Base interactions energy: -120.243
where: short stacking energy: -62.607
Base-Backbone interact. energy: -0.022
local terms energy: -70.901216
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -187.651293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.651293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.651293 (E_RNA)
where:
Base-Base interactions energy: -120.147
where: short stacking energy: -48.253
Base-Backbone interact. energy: -0.940
local terms energy: -66.564834
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -89.532600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.532600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.532600 (E_RNA)
where:
Base-Base interactions energy: -37.295
where: short stacking energy: -32.609
Base-Backbone interact. energy: -0.214
local terms energy: -52.023435
where:
bonds (distance) C4'-P energy: -4.801
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -11.444
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: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -95.265377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.265377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.265377 (E_RNA)
where:
Base-Base interactions energy: -39.913
where: short stacking energy: -39.913
Base-Backbone interact. energy: -0.054
local terms energy: -55.298099
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: -11.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -92.836036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.836036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.836036 (E_RNA)
where:
Base-Base interactions energy: -44.649
where: short stacking energy: -22.870
Base-Backbone interact. energy: -0.639
local terms energy: -47.547922
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -84.639999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.639999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.639999 (E_RNA)
where:
Base-Base interactions energy: -34.545
where: short stacking energy: -26.143
Base-Backbone interact. energy: -0.179
local terms energy: -49.915748
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -9.092
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: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -87.124772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.124772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.124772 (E_RNA)
where:
Base-Base interactions energy: -44.091
where: short stacking energy: -21.504
Base-Backbone interact. energy: 0.221
local terms energy: -43.254804
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -4.965
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: 1, replica: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -204.796142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.796142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.796142 (E_RNA)
where:
Base-Base interactions energy: -135.062
where: short stacking energy: -55.590
Base-Backbone interact. energy: -0.469
local terms energy: -69.264265
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -194.653870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.653870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.653870 (E_RNA)
where:
Base-Base interactions energy: -132.475
where: short stacking energy: -61.252
Base-Backbone interact. energy: -0.009
local terms energy: -62.170388
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -200.598708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.598708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.598708 (E_RNA)
where:
Base-Base interactions energy: -128.080
where: short stacking energy: -64.402
Base-Backbone interact. energy: -0.381
local terms energy: -72.137758
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -164.893696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.893696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.893696 (E_RNA)
where:
Base-Base interactions energy: -100.368
where: short stacking energy: -55.247
Base-Backbone interact. energy: -0.348
local terms energy: -64.178197
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -15.358
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: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -167.396577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.396577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.396577 (E_RNA)
where:
Base-Base interactions energy: -108.245
where: short stacking energy: -41.743
Base-Backbone interact. energy: -0.321
local terms energy: -58.830543
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -13.632
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -7.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -87.712596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.712596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.712596 (E_RNA)
where:
Base-Base interactions energy: -32.356
where: short stacking energy: -30.291
Base-Backbone interact. energy: -0.142
local terms energy: -55.215288
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -8.485
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -6.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -102.172039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.172039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.172039 (E_RNA)
where:
Base-Base interactions energy: -41.991
where: short stacking energy: -41.065
Base-Backbone interact. energy: -0.424
local terms energy: -59.757161
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -83.753796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.753796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.753796 (E_RNA)
where:
Base-Base interactions energy: -26.551
where: short stacking energy: -26.551
Base-Backbone interact. energy: -0.023
local terms energy: -57.179117
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -11.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -77.542414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.542414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.542414 (E_RNA)
where:
Base-Base interactions energy: -33.277
where: short stacking energy: -24.252
Base-Backbone interact. energy: -0.105
local terms energy: -44.160784
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: 0.088
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: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -77.422281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.422281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.422281 (E_RNA)
where:
Base-Base interactions energy: -32.474
where: short stacking energy: -27.445
Base-Backbone interact. energy: -0.108
local terms energy: -44.840172
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -0.375
tors. eta vs tors. theta energy: -4.635
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: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -213.249785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.249785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.249785 (E_RNA)
where:
Base-Base interactions energy: -136.167
where: short stacking energy: -65.353
Base-Backbone interact. energy: -0.129
local terms energy: -76.953596
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -190.932407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.932407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.932407 (E_RNA)
where:
Base-Base interactions energy: -113.640
where: short stacking energy: -59.433
Base-Backbone interact. energy: -0.050
local terms energy: -77.242716
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -181.685212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.685212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.685212 (E_RNA)
where:
Base-Base interactions energy: -124.504
where: short stacking energy: -52.755
Base-Backbone interact. energy: -0.169
local terms energy: -57.011738
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -9.834
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: 3
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -191.036251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.036251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.036251 (E_RNA)
where:
Base-Base interactions energy: -125.120
where: short stacking energy: -57.550
Base-Backbone interact. energy: 0.085
local terms energy: -66.001194
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -18.566
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: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -174.375631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.375631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.375631 (E_RNA)
where:
Base-Base interactions energy: -108.266
where: short stacking energy: -50.859
Base-Backbone interact. energy: -0.008
local terms energy: -66.101866
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -14.016
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: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -88.070087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.070087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.070087 (E_RNA)
where:
Base-Base interactions energy: -37.982
where: short stacking energy: -37.982
Base-Backbone interact. energy: -0.471
local terms energy: -49.616705
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -10.542
flat angles P-C4'-P energy: -3.413
tors. eta vs tors. theta energy: -5.747
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: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -94.776238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.776238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.776238 (E_RNA)
where:
Base-Base interactions energy: -38.747
where: short stacking energy: -36.717
Base-Backbone interact. energy: -0.064
local terms energy: -55.964824
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -10.956
flat angles C4'-P-C4' energy: -13.343
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -92.951516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.951516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.951516 (E_RNA)
where:
Base-Base interactions energy: -32.905
where: short stacking energy: -32.905
Base-Backbone interact. energy: -0.196
local terms energy: -59.850717
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -8.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -74.438782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.438782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.438782 (E_RNA)
where:
Base-Base interactions energy: -24.459
where: short stacking energy: -23.988
Base-Backbone interact. energy: 0.316
local terms energy: -50.295136
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -10.827
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: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -84.387819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.387819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.387819 (E_RNA)
where:
Base-Base interactions energy: -32.456
where: short stacking energy: -31.199
Base-Backbone interact. energy: 1.509
local terms energy: -53.441154
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -195.113405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.113405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.113405 (E_RNA)
where:
Base-Base interactions energy: -120.869
where: short stacking energy: -63.506
Base-Backbone interact. energy: -0.061
local terms energy: -74.182968
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -18.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -195.949133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.949133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.949133 (E_RNA)
where:
Base-Base interactions energy: -124.045
where: short stacking energy: -66.484
Base-Backbone interact. energy: -0.196
local terms energy: -71.707674
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -12.713
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: 3, replica: 3
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -190.976213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.976213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.976213 (E_RNA)
where:
Base-Base interactions energy: -121.548
where: short stacking energy: -58.706
Base-Backbone interact. energy: -0.016
local terms energy: -69.411821
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -14.422
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: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -186.310042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.310042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.310042 (E_RNA)
where:
Base-Base interactions energy: -116.780
where: short stacking energy: -50.398
Base-Backbone interact. energy: -0.356
local terms energy: -69.173828
where:
bonds (distance) C4'-P energy: -18.325
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -6.864
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: 5, replica: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -172.362553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.362553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.362553 (E_RNA)
where:
Base-Base interactions energy: -101.574
where: short stacking energy: -45.370
Base-Backbone interact. energy: -0.733
local terms energy: -70.055471
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -13.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -96.453330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.453330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.453330 (E_RNA)
where:
Base-Base interactions energy: -46.674
where: short stacking energy: -39.113
Base-Backbone interact. energy: 0.284
local terms energy: -50.063284
where:
bonds (distance) C4'-P energy: -4.337
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -10.348
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: 7, replica: 7
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -85.528075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.528075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.528075 (E_RNA)
where:
Base-Base interactions energy: -32.920
where: short stacking energy: -23.694
Base-Backbone interact. energy: -0.244
local terms energy: -52.364120
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -7.004
tors. eta vs tors. theta energy: -0.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -82.925175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.925175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.925175 (E_RNA)
where:
Base-Base interactions energy: -25.743
where: short stacking energy: -23.877
Base-Backbone interact. energy: -0.339
local terms energy: -56.842906
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -7.322
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -6.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -83.115661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.115661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.115661 (E_RNA)
where:
Base-Base interactions energy: -28.873
where: short stacking energy: -27.787
Base-Backbone interact. energy: -0.136
local terms energy: -54.107003
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -6.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -81.465545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.465545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.465545 (E_RNA)
where:
Base-Base interactions energy: -31.559
where: short stacking energy: -27.422
Base-Backbone interact. energy: -0.002
local terms energy: -49.904010
where:
bonds (distance) C4'-P energy: -5.654
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -5.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -186.500888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.500888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.500888 (E_RNA)
where:
Base-Base interactions energy: -120.891
where: short stacking energy: -57.638
Base-Backbone interact. energy: -0.017
local terms energy: -65.593702
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -10.875
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: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -200.650040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.650040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.650040 (E_RNA)
where:
Base-Base interactions energy: -126.478
where: short stacking energy: -65.547
Base-Backbone interact. energy: -0.001
local terms energy: -74.170931
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -177.099721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.099721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.099721 (E_RNA)
where:
Base-Base interactions energy: -104.736
where: short stacking energy: -55.398
Base-Backbone interact. energy: -0.033
local terms energy: -72.330721
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -14.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -171.837522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.837522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.837522 (E_RNA)
where:
Base-Base interactions energy: -109.139
where: short stacking energy: -49.658
Base-Backbone interact. energy: -0.292
local terms energy: -62.405896
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: -13.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -187.450953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.450953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.450953 (E_RNA)
where:
Base-Base interactions energy: -116.629
where: short stacking energy: -60.737
Base-Backbone interact. energy: -0.054
local terms energy: -70.767811
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -8.075
tors. eta vs tors. theta energy: -15.307
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: 6, replica: 7
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -105.020430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.020430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.020430 (E_RNA)
where:
Base-Base interactions energy: -45.077
where: short stacking energy: -45.077
Base-Backbone interact. energy: -0.003
local terms energy: -59.939738
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -12.661
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: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -85.899133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.899133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.899133 (E_RNA)
where:
Base-Base interactions energy: -35.406
where: short stacking energy: -24.015
Base-Backbone interact. energy: -0.042
local terms energy: -50.451094
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -4.287
tors. eta vs tors. theta energy: -7.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -90.314806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.314806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.314806 (E_RNA)
where:
Base-Base interactions energy: -45.745
where: short stacking energy: -31.130
Base-Backbone interact. energy: 2.304
local terms energy: -46.873396
where:
bonds (distance) C4'-P energy: -10.247
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -2.703
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: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -82.186665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.186665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.186665 (E_RNA)
where:
Base-Base interactions energy: -34.070
where: short stacking energy: -29.065
Base-Backbone interact. energy: -0.128
local terms energy: -47.988295
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -12.975
flat angles P-C4'-P energy: -8.092
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -78.084180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.084180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.084180 (E_RNA)
where:
Base-Base interactions energy: -31.426
where: short stacking energy: -27.504
Base-Backbone interact. energy: -0.779
local terms energy: -45.879383
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -5.172
flat angles P-C4'-P energy: -9.714
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: 190
Temperature: 0.900000
Total energy: -210.337043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.337043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.337043 (E_RNA)
where:
Base-Base interactions energy: -132.052
where: short stacking energy: -65.226
Base-Backbone interact. energy: -1.055
local terms energy: -77.229988
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -192.190878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.190878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.190878 (E_RNA)
where:
Base-Base interactions energy: -126.170
where: short stacking energy: -57.531
Base-Backbone interact. energy: -0.033
local terms energy: -65.987805
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -182.463646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.463646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.463646 (E_RNA)
where:
Base-Base interactions energy: -118.356
where: short stacking energy: -51.090
Base-Backbone interact. energy: -0.320
local terms energy: -63.787619
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -12.386
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: 4, replica: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -188.138427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.138427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.138427 (E_RNA)
where:
Base-Base interactions energy: -115.551
where: short stacking energy: -56.032
Base-Backbone interact. energy: -0.028
local terms energy: -72.559461
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -7.809
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: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -188.649701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.649701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.649701 (E_RNA)
where:
Base-Base interactions energy: -123.014
where: short stacking energy: -56.504
Base-Backbone interact. energy: 0.890
local terms energy: -66.526384
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -111.207203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.207203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.207203 (E_RNA)
where:
Base-Base interactions energy: -54.056
where: short stacking energy: -39.633
Base-Backbone interact. energy: 0.662
local terms energy: -57.813067
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -84.751979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.751979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.751979 (E_RNA)
where:
Base-Base interactions energy: -36.169
where: short stacking energy: -26.248
Base-Backbone interact. energy: -0.074
local terms energy: -48.508445
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -0.730
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -79.048955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.048955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.048955 (E_RNA)
where:
Base-Base interactions energy: -32.153
where: short stacking energy: -25.972
Base-Backbone interact. energy: 0.389
local terms energy: -47.284976
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -88.082798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.082798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.082798 (E_RNA)
where:
Base-Base interactions energy: -38.704
where: short stacking energy: -32.203
Base-Backbone interact. energy: -0.122
local terms energy: -49.257005
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -4.811
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: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -75.697662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.697662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.697662 (E_RNA)
where:
Base-Base interactions energy: -29.957
where: short stacking energy: -25.792
Base-Backbone interact. energy: -0.002
local terms energy: -45.739020
where:
bonds (distance) C4'-P energy: -9.053
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -204.785776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.785776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.785776 (E_RNA)
where:
Base-Base interactions energy: -132.863
where: short stacking energy: -59.346
Base-Backbone interact. energy: 0.725
local terms energy: -72.647222
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -15.869
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: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -194.390607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.390607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.390607 (E_RNA)
where:
Base-Base interactions energy: -122.907
where: short stacking energy: -50.687
Base-Backbone interact. energy: 0.445
local terms energy: -71.929356
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -12.869
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -184.505364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.505364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.505364 (E_RNA)
where:
Base-Base interactions energy: -109.725
where: short stacking energy: -66.992
Base-Backbone interact. energy: -0.018
local terms energy: -74.762409
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -191.081570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.081570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.081570 (E_RNA)
where:
Base-Base interactions energy: -120.302
where: short stacking energy: -53.925
Base-Backbone interact. energy: -0.075
local terms energy: -70.704473
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -173.498681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.498681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.498681 (E_RNA)
where:
Base-Base interactions energy: -116.727
where: short stacking energy: -57.362
Base-Backbone interact. energy: -0.123
local terms energy: -56.648737
where:
bonds (distance) C4'-P energy: -9.051
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -10.322
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -103.481795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.481795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.481795 (E_RNA)
where:
Base-Base interactions energy: -47.261
where: short stacking energy: -33.836
Base-Backbone interact. energy: 0.669
local terms energy: -56.889669
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -7.300
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: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -79.129479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.129479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.129479 (E_RNA)
where:
Base-Base interactions energy: -34.290
where: short stacking energy: -29.916
Base-Backbone interact. energy: -0.048
local terms energy: -44.791257
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -6.013
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -86.499587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.499587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.499587 (E_RNA)
where:
Base-Base interactions energy: -36.675
where: short stacking energy: -32.539
Base-Backbone interact. energy: -0.197
local terms energy: -49.626912
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -6.108
flat angles P-C4'-P energy: -10.385
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: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -96.821952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.821952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.821952 (E_RNA)
where:
Base-Base interactions energy: -38.470
where: short stacking energy: -35.565
Base-Backbone interact. energy: -0.060
local terms energy: -58.291865
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -66.427213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -66.427213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -66.427213 (E_RNA)
where:
Base-Base interactions energy: -21.793
where: short stacking energy: -21.793
Base-Backbone interact. energy: -0.098
local terms energy: -44.536211
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -3.349
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -203.104199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.104199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.104199 (E_RNA)
where:
Base-Base interactions energy: -125.463
where: short stacking energy: -60.299
Base-Backbone interact. energy: -0.020
local terms energy: -77.621199
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -196.115020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.115020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.115020 (E_RNA)
where:
Base-Base interactions energy: -122.313
where: short stacking energy: -59.060
Base-Backbone interact. energy: -0.179
local terms energy: -73.622744
where:
bonds (distance) C4'-P energy: -12.526
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -189.890984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.890984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.890984 (E_RNA)
where:
Base-Base interactions energy: -117.638
where: short stacking energy: -64.096
Base-Backbone interact. energy: -0.002
local terms energy: -72.250949
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -183.366415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.366415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.366415 (E_RNA)
where:
Base-Base interactions energy: -113.660
where: short stacking energy: -54.057
Base-Backbone interact. energy: -0.121
local terms energy: -69.586155
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -12.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -174.892468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.892468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.892468 (E_RNA)
where:
Base-Base interactions energy: -100.654
where: short stacking energy: -47.564
Base-Backbone interact. energy: -0.005
local terms energy: -74.233115
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -14.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -117.458939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.458939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.458939 (E_RNA)
where:
Base-Base interactions energy: -62.420
where: short stacking energy: -37.699
Base-Backbone interact. energy: -0.163
local terms energy: -54.876476
where:
bonds (distance) C4'-P energy: -10.485
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -12.390
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: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -101.629103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.629103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.629103 (E_RNA)
where:
Base-Base interactions energy: -39.649
where: short stacking energy: -34.542
Base-Backbone interact. energy: -0.054
local terms energy: -61.926600
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -11.369
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: 8, replica: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -81.868502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.868502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.868502 (E_RNA)
where:
Base-Base interactions energy: -30.942
where: short stacking energy: -27.292
Base-Backbone interact. energy: -0.188
local terms energy: -50.738100
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -5.402
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: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -80.587082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.587082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.587082 (E_RNA)
where:
Base-Base interactions energy: -27.861
where: short stacking energy: -27.861
Base-Backbone interact. energy: 1.717
local terms energy: -54.443519
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -7.645
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -3.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -80.192047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.192047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.192047 (E_RNA)
where:
Base-Base interactions energy: -32.616
where: short stacking energy: -27.015
Base-Backbone interact. energy: 0.802
local terms energy: -48.378218
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -3.002
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: 1, replica: 3
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -201.208557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.208557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.208557 (E_RNA)
where:
Base-Base interactions energy: -121.903
where: short stacking energy: -65.486
Base-Backbone interact. energy: -0.001
local terms energy: -79.304909
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -19.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -198.677817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.677817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.677817 (E_RNA)
where:
Base-Base interactions energy: -118.640
where: short stacking energy: -58.344
Base-Backbone interact. energy: -0.007
local terms energy: -80.030840
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -14.430
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: 3, replica: 2
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -191.234003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.234003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.234003 (E_RNA)
where:
Base-Base interactions energy: -121.297
where: short stacking energy: -61.244
Base-Backbone interact. energy: -0.047
local terms energy: -69.890057
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -183.464858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.464858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.464858 (E_RNA)
where:
Base-Base interactions energy: -111.955
where: short stacking energy: -54.526
Base-Backbone interact. energy: 0.374
local terms energy: -71.883855
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -166.681942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.681942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.681942 (E_RNA)
where:
Base-Base interactions energy: -106.186
where: short stacking energy: -49.341
Base-Backbone interact. energy: -0.818
local terms energy: -59.677893
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -7.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -86.393742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.393742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.393742 (E_RNA)
where:
Base-Base interactions energy: -30.141
where: short stacking energy: -28.593
Base-Backbone interact. energy: 1.102
local terms energy: -57.354991
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -107.249577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.249577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.249577 (E_RNA)
where:
Base-Base interactions energy: -43.850
where: short stacking energy: -37.923
Base-Backbone interact. energy: -0.589
local terms energy: -62.810777
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -80.897251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.897251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.897251 (E_RNA)
where:
Base-Base interactions energy: -30.693
where: short stacking energy: -29.569
Base-Backbone interact. energy: -0.160
local terms energy: -50.043699
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -13.668
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -4.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -91.591030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.591030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.591030 (E_RNA)
where:
Base-Base interactions energy: -36.191
where: short stacking energy: -35.513
Base-Backbone interact. energy: -0.309
local terms energy: -55.091070
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -7.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -70.857532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.857532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.857532 (E_RNA)
where:
Base-Base interactions energy: -25.332
where: short stacking energy: -22.859
Base-Backbone interact. energy: -0.465
local terms energy: -45.060222
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: 3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -218.472089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.472089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.472089 (E_RNA)
where:
Base-Base interactions energy: -133.424
where: short stacking energy: -64.313
Base-Backbone interact. energy: -2.514
local terms energy: -82.533829
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -13.423
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: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -201.573894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.573894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.573894 (E_RNA)
where:
Base-Base interactions energy: -132.272
where: short stacking energy: -67.611
Base-Backbone interact. energy: -0.005
local terms energy: -69.297559
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -10.891
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: 2
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -189.648750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.648750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.648750 (E_RNA)
where:
Base-Base interactions energy: -118.574
where: short stacking energy: -61.416
Base-Backbone interact. energy: -0.009
local terms energy: -71.065837
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -11.488
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: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -175.005319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.005319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.005319 (E_RNA)
where:
Base-Base interactions energy: -107.624
where: short stacking energy: -45.053
Base-Backbone interact. energy: -0.170
local terms energy: -67.210985
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -11.606
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: 194
Temperature: 1.100000
Total energy: -161.497971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.497971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.497971 (E_RNA)
where:
Base-Base interactions energy: -102.183
where: short stacking energy: -41.076
Base-Backbone interact. energy: -0.295
local terms energy: -59.020753
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -16.740
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -6.284
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: 6, replica: 4
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -93.139815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.139815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.139815 (E_RNA)
where:
Base-Base interactions energy: -38.303
where: short stacking energy: -37.804
Base-Backbone interact. energy: -0.075
local terms energy: -54.761238
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -9.181
tors. eta vs tors. theta energy: -8.262
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: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -115.090104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.090104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.090104 (E_RNA)
where:
Base-Base interactions energy: -63.871
where: short stacking energy: -30.825
Base-Backbone interact. energy: -1.021
local terms energy: -50.198567
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -3.695
tors. eta vs tors. theta energy: -6.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -74.862192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.862192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.862192 (E_RNA)
where:
Base-Base interactions energy: -24.107
where: short stacking energy: -20.204
Base-Backbone interact. energy: -0.180
local terms energy: -50.574928
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -1.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -73.437449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.437449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.437449 (E_RNA)
where:
Base-Base interactions energy: -27.402
where: short stacking energy: -27.402
Base-Backbone interact. energy: 0.124
local terms energy: -46.159129
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -3.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -81.839071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.839071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.839071 (E_RNA)
where:
Base-Base interactions energy: -49.032
where: short stacking energy: -25.821
Base-Backbone interact. energy: -0.050
local terms energy: -32.757277
where:
bonds (distance) C4'-P energy: -4.502
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -7.004
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: 1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -210.107535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.107535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.107535 (E_RNA)
where:
Base-Base interactions energy: -133.933
where: short stacking energy: -61.366
Base-Backbone interact. energy: -0.359
local terms energy: -75.815339
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -21.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -200.587069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.587069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.587069 (E_RNA)
where:
Base-Base interactions energy: -129.175
where: short stacking energy: -65.690
Base-Backbone interact. energy: 0.437
local terms energy: -71.848378
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -16.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -182.369281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.369281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.369281 (E_RNA)
where:
Base-Base interactions energy: -107.692
where: short stacking energy: -56.152
Base-Backbone interact. energy: -0.178
local terms energy: -74.499409
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -177.701189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.701189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.701189 (E_RNA)
where:
Base-Base interactions energy: -105.840
where: short stacking energy: -48.912
Base-Backbone interact. energy: -0.073
local terms energy: -71.787521
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -7.431
tors. eta vs tors. theta energy: -15.686
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: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -164.339424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.339424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.339424 (E_RNA)
where:
Base-Base interactions energy: -102.370
where: short stacking energy: -52.289
Base-Backbone interact. energy: -0.001
local terms energy: -61.968094
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -10.500
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -113.239150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.239150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.239150 (E_RNA)
where:
Base-Base interactions energy: -59.756
where: short stacking energy: -37.658
Base-Backbone interact. energy: -0.037
local terms energy: -53.446198
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -4.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -98.818829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.818829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.818829 (E_RNA)
where:
Base-Base interactions energy: -46.304
where: short stacking energy: -38.745
Base-Backbone interact. energy: 0.551
local terms energy: -53.065061
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -10.065
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -8.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -81.527906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.527906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.527906 (E_RNA)
where:
Base-Base interactions energy: -32.120
where: short stacking energy: -32.120
Base-Backbone interact. energy: -0.149
local terms energy: -49.258611
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -10.244
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: 1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -81.489301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.489301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.489301 (E_RNA)
where:
Base-Base interactions energy: -25.904
where: short stacking energy: -25.825
Base-Backbone interact. energy: -0.385
local terms energy: -55.200207
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -1.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -68.710115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.710115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.710115 (E_RNA)
where:
Base-Base interactions energy: -26.414
where: short stacking energy: -24.082
Base-Backbone interact. energy: -0.232
local terms energy: -42.064250
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -4.966
tors. eta vs tors. theta energy: 1.419
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: 196
Temperature: 0.900000
Total energy: -212.611380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.611380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.611380 (E_RNA)
where:
Base-Base interactions energy: -132.867
where: short stacking energy: -63.027
Base-Backbone interact. energy: -0.011
local terms energy: -79.733819
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -20.899
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: 2, replica: 5
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -205.329214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.329214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.329214 (E_RNA)
where:
Base-Base interactions energy: -134.593
where: short stacking energy: -72.916
Base-Backbone interact. energy: -0.209
local terms energy: -70.527367
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -22.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -181.675172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.675172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.675172 (E_RNA)
where:
Base-Base interactions energy: -114.418
where: short stacking energy: -52.040
Base-Backbone interact. energy: -0.292
local terms energy: -66.965319
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -166.915189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.915189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.915189 (E_RNA)
where:
Base-Base interactions energy: -102.005
where: short stacking energy: -49.968
Base-Backbone interact. energy: -0.209
local terms energy: -64.700901
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -11.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -153.990665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.990665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.990665 (E_RNA)
where:
Base-Base interactions energy: -88.254
where: short stacking energy: -50.207
Base-Backbone interact. energy: 0.712
local terms energy: -66.448398
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -8.014
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -88.380829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.380829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.380829 (E_RNA)
where:
Base-Base interactions energy: -35.330
where: short stacking energy: -35.857
Base-Backbone interact. energy: -0.061
local terms energy: -52.989706
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -4.932
tors. eta vs tors. theta energy: -8.496
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: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -92.122678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.122678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.122678 (E_RNA)
where:
Base-Base interactions energy: -33.702
where: short stacking energy: -29.404
Base-Backbone interact. energy: -0.107
local terms energy: -58.313061
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -80.029087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.029087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.029087 (E_RNA)
where:
Base-Base interactions energy: -33.035
where: short stacking energy: -32.225
Base-Backbone interact. energy: 1.505
local terms energy: -48.498929
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -9.279
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -73.851217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.851217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.851217 (E_RNA)
where:
Base-Base interactions energy: -30.148
where: short stacking energy: -18.937
Base-Backbone interact. energy: -0.103
local terms energy: -43.600291
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: 4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -74.402316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.402316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.402316 (E_RNA)
where:
Base-Base interactions energy: -23.057
where: short stacking energy: -22.056
Base-Backbone interact. energy: -0.020
local terms energy: -51.325499
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -9.298
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -203.171030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.171030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.171030 (E_RNA)
where:
Base-Base interactions energy: -131.045
where: short stacking energy: -62.564
Base-Backbone interact. energy: 0.062
local terms energy: -72.187299
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -14.973
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -199.864436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.864436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.864436 (E_RNA)
where:
Base-Base interactions energy: -126.281
where: short stacking energy: -67.601
Base-Backbone interact. energy: 0.106
local terms energy: -73.689611
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -195.097972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.097972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.097972 (E_RNA)
where:
Base-Base interactions energy: -124.863
where: short stacking energy: -70.032
Base-Backbone interact. energy: -0.085
local terms energy: -70.150155
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -178.934993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.934993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.934993 (E_RNA)
where:
Base-Base interactions energy: -109.444
where: short stacking energy: -60.160
Base-Backbone interact. energy: -0.696
local terms energy: -68.794797
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -15.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -168.465924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.465924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.465924 (E_RNA)
where:
Base-Base interactions energy: -108.093
where: short stacking energy: -53.923
Base-Backbone interact. energy: -0.136
local terms energy: -60.236373
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -9.079
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -96.402689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.402689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.402689 (E_RNA)
where:
Base-Base interactions energy: -40.150
where: short stacking energy: -39.601
Base-Backbone interact. energy: -0.231
local terms energy: -56.021564
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -92.413922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.413922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.413922 (E_RNA)
where:
Base-Base interactions energy: -38.565
where: short stacking energy: -36.996
Base-Backbone interact. energy: -0.005
local terms energy: -53.844402
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -8.621
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -11.995
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: 8, replica: 4
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -97.432020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.432020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.432020 (E_RNA)
where:
Base-Base interactions energy: -37.160
where: short stacking energy: -30.401
Base-Backbone interact. energy: -0.110
local terms energy: -60.162155
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -12.864
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: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -90.122606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.122606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.122606 (E_RNA)
where:
Base-Base interactions energy: -31.244
where: short stacking energy: -30.488
Base-Backbone interact. energy: -0.066
local terms energy: -58.812225
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -75.134983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.134983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.134983 (E_RNA)
where:
Base-Base interactions energy: -26.665
where: short stacking energy: -15.090
Base-Backbone interact. energy: -0.182
local terms energy: -48.288755
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -13.505
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -1.985
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: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -213.547783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.547783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.547783 (E_RNA)
where:
Base-Base interactions energy: -137.883
where: short stacking energy: -62.608
Base-Backbone interact. energy: -0.023
local terms energy: -75.641682
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -191.034481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.034481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.034481 (E_RNA)
where:
Base-Base interactions energy: -130.172
where: short stacking energy: -62.453
Base-Backbone interact. energy: -0.089
local terms energy: -60.773793
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -13.664
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -11.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -185.850111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.850111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.850111 (E_RNA)
where:
Base-Base interactions energy: -111.273
where: short stacking energy: -49.037
Base-Backbone interact. energy: 0.404
local terms energy: -74.981307
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -15.889
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: 4, replica: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -173.398206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.398206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.398206 (E_RNA)
where:
Base-Base interactions energy: -112.553
where: short stacking energy: -53.899
Base-Backbone interact. energy: -0.312
local terms energy: -60.533409
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -182.504409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.504409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.504409 (E_RNA)
where:
Base-Base interactions energy: -111.596
where: short stacking energy: -58.937
Base-Backbone interact. energy: -0.061
local terms energy: -70.847359
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -109.489461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.489461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.489461 (E_RNA)
where:
Base-Base interactions energy: -46.910
where: short stacking energy: -46.743
Base-Backbone interact. energy: -0.016
local terms energy: -62.563418
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -90.974057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.974057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.974057 (E_RNA)
where:
Base-Base interactions energy: -32.589
where: short stacking energy: -27.537
Base-Backbone interact. energy: -0.318
local terms energy: -58.067308
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -7.066
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: 198
Temperature: 1.250000
Total energy: -83.410198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.410198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.410198 (E_RNA)
where:
Base-Base interactions energy: -36.899
where: short stacking energy: -20.657
Base-Backbone interact. energy: -0.381
local terms energy: -46.130308
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -8.092
flat angles P-C4'-P energy: -8.731
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: 9, replica: 9
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -80.397117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.397117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.397117 (E_RNA)
where:
Base-Base interactions energy: -31.409
where: short stacking energy: -31.409
Base-Backbone interact. energy: -0.264
local terms energy: -48.724246
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -10.285
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -70.697775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.697775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.697775 (E_RNA)
where:
Base-Base interactions energy: -23.299
where: short stacking energy: -22.906
Base-Backbone interact. energy: -0.049
local terms energy: -47.349613
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -206.039755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.039755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.039755 (E_RNA)
where:
Base-Base interactions energy: -128.741
where: short stacking energy: -66.720
Base-Backbone interact. energy: -0.116
local terms energy: -77.182588
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -13.140
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: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -202.664633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.664633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.664633 (E_RNA)
where:
Base-Base interactions energy: -128.551
where: short stacking energy: -56.951
Base-Backbone interact. energy: -0.004
local terms energy: -74.108961
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -18.862
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: 3, replica: 8
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -184.328626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.328626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.328626 (E_RNA)
where:
Base-Base interactions energy: -117.040
where: short stacking energy: -52.034
Base-Backbone interact. energy: -1.261
local terms energy: -66.027886
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -17.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -175.866430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.866430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.866430 (E_RNA)
where:
Base-Base interactions energy: -111.301
where: short stacking energy: -42.886
Base-Backbone interact. energy: -0.580
local terms energy: -63.986144
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -9.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -162.941991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.941991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.941991 (E_RNA)
where:
Base-Base interactions energy: -97.295
where: short stacking energy: -44.356
Base-Backbone interact. energy: -0.808
local terms energy: -64.838683
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -9.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -94.215599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.215599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.215599 (E_RNA)
where:
Base-Base interactions energy: -39.496
where: short stacking energy: -28.861
Base-Backbone interact. energy: -0.466
local terms energy: -54.254112
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -12.437
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -7.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -105.157030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.157030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.157030 (E_RNA)
where:
Base-Base interactions energy: -42.411
where: short stacking energy: -42.411
Base-Backbone interact. energy: -0.049
local terms energy: -62.697559
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -88.501166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.501166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.501166 (E_RNA)
where:
Base-Base interactions energy: -34.469
where: short stacking energy: -23.196
Base-Backbone interact. energy: 0.232
local terms energy: -54.264361
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -12.487
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -9.755
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: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -70.578468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.578468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.578468 (E_RNA)
where:
Base-Base interactions energy: -27.589
where: short stacking energy: -27.589
Base-Backbone interact. energy: -0.081
local terms energy: -42.909020
where:
bonds (distance) C4'-P energy: -7.771
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: 5.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -76.515981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.515981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.515981 (E_RNA)
where:
Base-Base interactions energy: -29.380
where: short stacking energy: -29.301
Base-Backbone interact. energy: -0.327
local terms energy: -46.808632
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -9.611
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -2.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -213.527162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.527162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.527162 (E_RNA)
where:
Base-Base interactions energy: -133.227
where: short stacking energy: -55.887
Base-Backbone interact. energy: -0.092
local terms energy: -80.207737
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -19.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -207.183651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.183651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.183651 (E_RNA)
where:
Base-Base interactions energy: -130.126
where: short stacking energy: -64.657
Base-Backbone interact. energy: -0.070
local terms energy: -76.987302
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -11.470
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: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -178.229762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.229762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.229762 (E_RNA)
where:
Base-Base interactions energy: -106.002
where: short stacking energy: -54.923
Base-Backbone interact. energy: -0.041
local terms energy: -72.185890
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -14.617
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: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -176.300115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.300115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.300115 (E_RNA)
where:
Base-Base interactions energy: -102.792
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.780
local terms energy: -72.728407
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -190.727145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.727145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.727145 (E_RNA)
where:
Base-Base interactions energy: -120.892
where: short stacking energy: -58.926
Base-Backbone interact. energy: -0.954
local terms energy: -68.881419
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -17.264
flat angles P-C4'-P energy: -3.498
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: 6, replica: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -96.227275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.227275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.227275 (E_RNA)
where:
Base-Base interactions energy: -36.574
where: short stacking energy: -37.196
Base-Backbone interact. energy: -0.415
local terms energy: -59.238726
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -7.249
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: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -85.427627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.427627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.427627 (E_RNA)
where:
Base-Base interactions energy: -28.971
where: short stacking energy: -28.295
Base-Backbone interact. energy: -0.080
local terms energy: -56.376758
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -11.909
flat angles P-C4'-P energy: -11.261
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: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -88.839461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.839461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.839461 (E_RNA)
where:
Base-Base interactions energy: -36.784
where: short stacking energy: -31.618
Base-Backbone interact. energy: -0.142
local terms energy: -51.913158
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -12.097
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -77.498376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.498376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.498376 (E_RNA)
where:
Base-Base interactions energy: -27.898
where: short stacking energy: -27.898
Base-Backbone interact. energy: -0.001
local terms energy: -49.599708
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -4.214
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -70.646826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.646826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.646826 (E_RNA)
where:
Base-Base interactions energy: -21.040
where: short stacking energy: -21.025
Base-Backbone interact. energy: 1.022
local terms energy: -50.628272
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -11.021
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: 1, replica: 5
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -203.552680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.552680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.552680 (E_RNA)
where:
Base-Base interactions energy: -127.191
where: short stacking energy: -63.583
Base-Backbone interact. energy: -0.034
local terms energy: -76.327867
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -200.456064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.456064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.456064 (E_RNA)
where:
Base-Base interactions energy: -129.210
where: short stacking energy: -63.837
Base-Backbone interact. energy: -0.252
local terms energy: -70.994197
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -18.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -192.586665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.586665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.586665 (E_RNA)
where:
Base-Base interactions energy: -120.767
where: short stacking energy: -59.954
Base-Backbone interact. energy: -0.001
local terms energy: -71.818325
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -9.545
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: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -181.495632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.495632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.495632 (E_RNA)
where:
Base-Base interactions energy: -112.276
where: short stacking energy: -48.960
Base-Backbone interact. energy: -0.409
local terms energy: -68.810227
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -13.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -178.680036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.680036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.680036 (E_RNA)
where:
Base-Base interactions energy: -112.212
where: short stacking energy: -45.265
Base-Backbone interact. energy: -1.144
local terms energy: -65.324056
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -4.726
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: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -108.011828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.011828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.011828 (E_RNA)
where:
Base-Base interactions energy: -48.272
where: short stacking energy: -35.670
Base-Backbone interact. energy: -0.121
local terms energy: -59.618850
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -92.524095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.524095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.524095 (E_RNA)
where:
Base-Base interactions energy: -35.044
where: short stacking energy: -32.810
Base-Backbone interact. energy: -2.191
local terms energy: -55.289351
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -85.365329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.365329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.365329 (E_RNA)
where:
Base-Base interactions energy: -33.269
where: short stacking energy: -33.269
Base-Backbone interact. energy: -0.143
local terms energy: -51.953397
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -9.239
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -77.905346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.905346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.905346 (E_RNA)
where:
Base-Base interactions energy: -27.499
where: short stacking energy: -24.611
Base-Backbone interact. energy: -0.427
local terms energy: -49.979090
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -3.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -71.833769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.833769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.833769 (E_RNA)
where:
Base-Base interactions energy: -32.661
where: short stacking energy: -27.398
Base-Backbone interact. energy: -0.064
local terms energy: -39.108394
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -5.073
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -2.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -207.450295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.450295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.450295 (E_RNA)
where:
Base-Base interactions energy: -128.288
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.099
local terms energy: -79.063134
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -21.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -194.304936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.304936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.304936 (E_RNA)
where:
Base-Base interactions energy: -119.138
where: short stacking energy: -59.038
Base-Backbone interact. energy: -0.043
local terms energy: -75.123283
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -20.973
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: 3, replica: 3
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -193.104218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.104218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.104218 (E_RNA)
where:
Base-Base interactions energy: -113.864
where: short stacking energy: -61.102
Base-Backbone interact. energy: -0.048
local terms energy: -79.192029
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -182.108687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.108687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.108687 (E_RNA)
where:
Base-Base interactions energy: -114.013
where: short stacking energy: -56.152
Base-Backbone interact. energy: -0.992
local terms energy: -67.103486
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -16.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -178.646635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.646635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.646635 (E_RNA)
where:
Base-Base interactions energy: -101.693
where: short stacking energy: -60.196
Base-Backbone interact. energy: -0.100
local terms energy: -76.854501
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -18.080
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: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -100.665198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.665198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.665198 (E_RNA)
where:
Base-Base interactions energy: -43.267
where: short stacking energy: -43.267
Base-Backbone interact. energy: -0.011
local terms energy: -57.386656
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -11.229
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: 202
Temperature: 1.200000
Total energy: -103.575528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.575528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.575528 (E_RNA)
where:
Base-Base interactions energy: -42.933
where: short stacking energy: -42.933
Base-Backbone interact. energy: -0.235
local terms energy: -60.406998
where:
bonds (distance) C4'-P energy: -9.965
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -83.356417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.356417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.356417 (E_RNA)
where:
Base-Base interactions energy: -37.880
where: short stacking energy: -35.190
Base-Backbone interact. energy: -0.113
local terms energy: -45.363387
where:
bonds (distance) C4'-P energy: -9.297
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -10.526
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -3.222
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: 9, replica: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -74.996143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.996143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.996143 (E_RNA)
where:
Base-Base interactions energy: -26.691
where: short stacking energy: -17.680
Base-Backbone interact. energy: -0.253
local terms energy: -48.051871
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: 1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -68.772203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.772203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.772203 (E_RNA)
where:
Base-Base interactions energy: -24.929
where: short stacking energy: -21.067
Base-Backbone interact. energy: 0.963
local terms energy: -44.806589
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -11.074
flat angles P-C4'-P energy: -6.080
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: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -206.327519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.327519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.327519 (E_RNA)
where:
Base-Base interactions energy: -130.558
where: short stacking energy: -63.938
Base-Backbone interact. energy: -0.146
local terms energy: -75.622879
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -198.958435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.958435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.958435 (E_RNA)
where:
Base-Base interactions energy: -130.660
where: short stacking energy: -62.607
Base-Backbone interact. energy: -0.006
local terms energy: -68.292705
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -5.137
tors. eta vs tors. theta energy: -20.498
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: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -189.720244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.720244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.720244 (E_RNA)
where:
Base-Base interactions energy: -117.913
where: short stacking energy: -53.279
Base-Backbone interact. energy: -0.043
local terms energy: -71.764448
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -14.175
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: 4, replica: 2
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -177.819528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.819528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.819528 (E_RNA)
where:
Base-Base interactions energy: -106.294
where: short stacking energy: -56.507
Base-Backbone interact. energy: -0.003
local terms energy: -71.522513
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -16.258
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: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -167.258981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.258981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.258981 (E_RNA)
where:
Base-Base interactions energy: -103.185
where: short stacking energy: -45.705
Base-Backbone interact. energy: -0.002
local terms energy: -64.071956
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -10.264
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -103.540295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.540295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.540295 (E_RNA)
where:
Base-Base interactions energy: -39.757
where: short stacking energy: -39.757
Base-Backbone interact. energy: -0.002
local terms energy: -63.781049
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -12.914
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: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -90.765122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.765122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.765122 (E_RNA)
where:
Base-Base interactions energy: -36.070
where: short stacking energy: -32.011
Base-Backbone interact. energy: -0.110
local terms energy: -54.585340
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -82.136210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.136210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.136210 (E_RNA)
where:
Base-Base interactions energy: -35.371
where: short stacking energy: -33.991
Base-Backbone interact. energy: -0.102
local terms energy: -46.663308
where:
bonds (distance) C4'-P energy: -10.251
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -9.645
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -81.634141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.634141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.634141 (E_RNA)
where:
Base-Base interactions energy: -36.454
where: short stacking energy: -30.069
Base-Backbone interact. energy: -0.115
local terms energy: -45.065181
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -5.722
tors. eta vs tors. theta energy: 0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -73.645146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.645146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.645146 (E_RNA)
where:
Base-Base interactions energy: -33.130
where: short stacking energy: -17.105
Base-Backbone interact. energy: 0.322
local terms energy: -40.837599
where:
bonds (distance) C4'-P energy: -4.703
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: 2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -214.988917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.988917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.988917 (E_RNA)
where:
Base-Base interactions energy: -143.399
where: short stacking energy: -62.327
Base-Backbone interact. energy: -0.070
local terms energy: -71.519831
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -14.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -197.387402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.387402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.387402 (E_RNA)
where:
Base-Base interactions energy: -125.518
where: short stacking energy: -62.351
Base-Backbone interact. energy: -0.012
local terms energy: -71.856915
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -18.220
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: 2
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -182.977415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.977415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.977415 (E_RNA)
where:
Base-Base interactions energy: -116.290
where: short stacking energy: -57.216
Base-Backbone interact. energy: -0.088
local terms energy: -66.599077
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -180.461571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.461571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.461571 (E_RNA)
where:
Base-Base interactions energy: -121.854
where: short stacking energy: -65.927
Base-Backbone interact. energy: 0.091
local terms energy: -58.698292
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -9.634
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -20.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -100.915498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.915498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.915498 (E_RNA)
where:
Base-Base interactions energy: -40.902
where: short stacking energy: -38.468
Base-Backbone interact. energy: -0.049
local terms energy: -59.963646
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -8.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -183.293517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.293517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.293517 (E_RNA)
where:
Base-Base interactions energy: -110.488
where: short stacking energy: -46.996
Base-Backbone interact. energy: -0.358
local terms energy: -72.447800
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -16.031
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: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -84.780590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.780590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.780590 (E_RNA)
where:
Base-Base interactions energy: -33.214
where: short stacking energy: -32.865
Base-Backbone interact. energy: -0.104
local terms energy: -51.463076
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -3.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -114.581954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.581954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.581954 (E_RNA)
where:
Base-Base interactions energy: -57.557
where: short stacking energy: -30.814
Base-Backbone interact. energy: -0.021
local terms energy: -57.003241
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -11.676
tors. eta vs tors. theta energy: -1.905
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: 204
Temperature: 1.300000
Total energy: -76.653241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.653241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.653241 (E_RNA)
where:
Base-Base interactions energy: -22.126
where: short stacking energy: -22.126
Base-Backbone interact. energy: -0.023
local terms energy: -54.503943
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -9.889
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: 10, replica: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -75.881060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.881060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.881060 (E_RNA)
where:
Base-Base interactions energy: -29.177
where: short stacking energy: -29.100
Base-Backbone interact. energy: -0.135
local terms energy: -46.569445
where:
bonds (distance) C4'-P energy: -18.094
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -5.236
tors. eta vs tors. theta energy: 2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -202.532658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.532658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.532658 (E_RNA)
where:
Base-Base interactions energy: -124.889
where: short stacking energy: -63.694
Base-Backbone interact. energy: -0.692
local terms energy: -76.952152
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -19.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -196.859514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.859514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.859514 (E_RNA)
where:
Base-Base interactions energy: -115.181
where: short stacking energy: -60.048
Base-Backbone interact. energy: -0.020
local terms energy: -81.658767
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -18.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -185.535182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.535182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.535182 (E_RNA)
where:
Base-Base interactions energy: -115.751
where: short stacking energy: -54.654
Base-Backbone interact. energy: -0.002
local terms energy: -69.782043
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -16.143
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: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -177.015398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.015398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.015398 (E_RNA)
where:
Base-Base interactions energy: -107.178
where: short stacking energy: -52.259
Base-Backbone interact. energy: -0.426
local terms energy: -69.411990
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -13.821
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: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -87.894654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.894654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.894654 (E_RNA)
where:
Base-Base interactions energy: -26.163
where: short stacking energy: -26.163
Base-Backbone interact. energy: -0.115
local terms energy: -61.616744
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -159.065153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.065153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.065153 (E_RNA)
where:
Base-Base interactions energy: -101.033
where: short stacking energy: -51.546
Base-Backbone interact. energy: -0.072
local terms energy: -57.959326
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -10.771
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: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -104.825342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.825342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.825342 (E_RNA)
where:
Base-Base interactions energy: -46.739
where: short stacking energy: -46.739
Base-Backbone interact. energy: -0.080
local terms energy: -58.005894
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -7.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -79.492675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.492675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.492675 (E_RNA)
where:
Base-Base interactions energy: -25.325
where: short stacking energy: -15.926
Base-Backbone interact. energy: -0.881
local terms energy: -53.286441
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -9.895
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: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -91.834100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.834100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.834100 (E_RNA)
where:
Base-Base interactions energy: -50.455
where: short stacking energy: -26.125
Base-Backbone interact. energy: -0.242
local terms energy: -41.137848
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: 0.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -75.053496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.053496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.053496 (E_RNA)
where:
Base-Base interactions energy: -30.768
where: short stacking energy: -30.627
Base-Backbone interact. energy: -0.068
local terms energy: -44.217663
where:
bonds (distance) C4'-P energy: -8.130
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -5.657
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: 206
Temperature: 0.900000
Total energy: -192.290418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.290418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.290418 (E_RNA)
where:
Base-Base interactions energy: -116.808
where: short stacking energy: -53.821
Base-Backbone interact. energy: -0.250
local terms energy: -75.232250
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -198.336200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.336200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.336200 (E_RNA)
where:
Base-Base interactions energy: -123.031
where: short stacking energy: -60.577
Base-Backbone interact. energy: -0.004
local terms energy: -75.300657
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -18.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -182.717507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.717507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.717507 (E_RNA)
where:
Base-Base interactions energy: -115.991
where: short stacking energy: -54.189
Base-Backbone interact. energy: -0.320
local terms energy: -66.406521
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -13.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -194.470865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.470865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.470865 (E_RNA)
where:
Base-Base interactions energy: -120.891
where: short stacking energy: -53.628
Base-Backbone interact. energy: -0.004
local terms energy: -73.576073
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -15.473
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: 10
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -152.242159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.242159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.242159 (E_RNA)
where:
Base-Base interactions energy: -88.341
where: short stacking energy: -47.021
Base-Backbone interact. energy: -0.112
local terms energy: -63.788860
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -11.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -89.865904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.865904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.865904 (E_RNA)
where:
Base-Base interactions energy: -39.701
where: short stacking energy: -35.544
Base-Backbone interact. energy: -0.091
local terms energy: -50.073696
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -6.497
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -9.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -96.188463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.188463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.188463 (E_RNA)
where:
Base-Base interactions energy: -32.457
where: short stacking energy: -32.457
Base-Backbone interact. energy: -0.191
local terms energy: -63.540202
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -4.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -84.797353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.797353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.797353 (E_RNA)
where:
Base-Base interactions energy: -42.444
where: short stacking energy: -29.259
Base-Backbone interact. energy: -0.184
local terms energy: -42.169603
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -7.910
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: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -86.798729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.798729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.798729 (E_RNA)
where:
Base-Base interactions energy: -32.773
where: short stacking energy: -32.773
Base-Backbone interact. energy: -0.096
local terms energy: -53.929556
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -3.714
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: 10, replica: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -78.713979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.713979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.713979 (E_RNA)
where:
Base-Base interactions energy: -25.204
where: short stacking energy: -25.204
Base-Backbone interact. energy: -0.143
local terms energy: -53.366816
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -8.782
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -6.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -198.731576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.731576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.731576 (E_RNA)
where:
Base-Base interactions energy: -122.711
where: short stacking energy: -61.451
Base-Backbone interact. energy: -0.048
local terms energy: -75.972520
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -19.471
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: 2, replica: 5
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -196.728091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.728091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.728091 (E_RNA)
where:
Base-Base interactions energy: -128.329
where: short stacking energy: -67.174
Base-Backbone interact. energy: -0.225
local terms energy: -68.173608
where:
bonds (distance) C4'-P energy: -10.626
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -9.880
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -183.232753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.232753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.232753 (E_RNA)
where:
Base-Base interactions energy: -117.827
where: short stacking energy: -62.970
Base-Backbone interact. energy: 0.195
local terms energy: -65.599917
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -179.989814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.989814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.989814 (E_RNA)
where:
Base-Base interactions energy: -115.490
where: short stacking energy: -52.241
Base-Backbone interact. energy: -0.051
local terms energy: -64.448455
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -14.280
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: 10
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -177.079863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.079863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.079863 (E_RNA)
where:
Base-Base interactions energy: -103.601
where: short stacking energy: -54.777
Base-Backbone interact. energy: -1.300
local terms energy: -72.179361
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -95.977849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.977849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.977849 (E_RNA)
where:
Base-Base interactions energy: -33.488
where: short stacking energy: -33.488
Base-Backbone interact. energy: -0.340
local terms energy: -62.150029
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -6.901
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: 7, replica: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -81.586028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.586028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.586028 (E_RNA)
where:
Base-Base interactions energy: -29.856
where: short stacking energy: -26.962
Base-Backbone interact. energy: -0.053
local terms energy: -51.676864
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -1.791
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: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -78.868027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.868027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.868027 (E_RNA)
where:
Base-Base interactions energy: -35.099
where: short stacking energy: -21.924
Base-Backbone interact. energy: -0.223
local terms energy: -43.545842
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -11.436
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -2.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -80.547625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.547625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.547625 (E_RNA)
where:
Base-Base interactions energy: -30.833
where: short stacking energy: -29.035
Base-Backbone interact. energy: -1.432
local terms energy: -48.283109
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -14.125
flat angles C4'-P-C4' energy: -8.683
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -1.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -80.678820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.678820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.678820 (E_RNA)
where:
Base-Base interactions energy: -31.174
where: short stacking energy: -31.174
Base-Backbone interact. energy: -1.368
local terms energy: -48.136730
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -8.395
flat angles P-C4'-P energy: -3.583
tors. eta vs tors. theta energy: -5.647
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: 208
Temperature: 0.900000
Total energy: -203.298595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.298595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.298595 (E_RNA)
where:
Base-Base interactions energy: -126.241
where: short stacking energy: -54.000
Base-Backbone interact. energy: -1.304
local terms energy: -75.753252
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -13.360
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: 2, replica: 5
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -202.472324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.472324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.472324 (E_RNA)
where:
Base-Base interactions energy: -119.486
where: short stacking energy: -63.586
Base-Backbone interact. energy: 0.163
local terms energy: -83.149551
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -21.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -182.122936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.122936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.122936 (E_RNA)
where:
Base-Base interactions energy: -114.887
where: short stacking energy: -61.632
Base-Backbone interact. energy: -0.085
local terms energy: -67.150858
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -11.951
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -9.847
tors. eta vs tors. theta energy: -17.284
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: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -183.946498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.946498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.946498 (E_RNA)
where:
Base-Base interactions energy: -114.612
where: short stacking energy: -58.095
Base-Backbone interact. energy: 0.395
local terms energy: -69.729114
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -11.882
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -17.754
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: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -100.313092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.313092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.313092 (E_RNA)
where:
Base-Base interactions energy: -38.277
where: short stacking energy: -35.418
Base-Backbone interact. energy: -0.890
local terms energy: -61.146407
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -9.653
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: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -161.880065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.880065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.880065 (E_RNA)
where:
Base-Base interactions energy: -103.520
where: short stacking energy: -40.564
Base-Backbone interact. energy: -0.049
local terms energy: -58.310725
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -8.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -85.949130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.949130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.949130 (E_RNA)
where:
Base-Base interactions energy: -32.903
where: short stacking energy: -22.119
Base-Backbone interact. energy: -0.226
local terms energy: -52.819419
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -5.022
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: 8, replica: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -78.432938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.432938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.432938 (E_RNA)
where:
Base-Base interactions energy: -32.311
where: short stacking energy: -22.742
Base-Backbone interact. energy: -0.306
local terms energy: -45.815516
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -1.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -81.283876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.283876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.283876 (E_RNA)
where:
Base-Base interactions energy: -34.372
where: short stacking energy: -26.670
Base-Backbone interact. energy: -0.176
local terms energy: -46.735163
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -10.549
flat angles P-C4'-P energy: -6.516
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: 10, replica: 4
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -71.295734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.295734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.295734 (E_RNA)
where:
Base-Base interactions energy: -23.286
where: short stacking energy: -23.386
Base-Backbone interact. energy: -0.062
local terms energy: -47.947822
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -7.571
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -207.374731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.374731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.374731 (E_RNA)
where:
Base-Base interactions energy: -134.562
where: short stacking energy: -63.419
Base-Backbone interact. energy: -1.343
local terms energy: -71.469450
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -17.259
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: 5
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -207.041534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.041534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.041534 (E_RNA)
where:
Base-Base interactions energy: -134.525
where: short stacking energy: -63.149
Base-Backbone interact. energy: -1.413
local terms energy: -71.103393
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -5.479
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: 3, replica: 3
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -176.411393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.411393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.411393 (E_RNA)
where:
Base-Base interactions energy: -108.783
where: short stacking energy: -60.676
Base-Backbone interact. energy: -0.074
local terms energy: -67.555141
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -13.097
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: 4, replica: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -168.376946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.376946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.376946 (E_RNA)
where:
Base-Base interactions energy: -100.047
where: short stacking energy: -45.859
Base-Backbone interact. energy: -0.066
local terms energy: -68.264550
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -12.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -98.467991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.467991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.467991 (E_RNA)
where:
Base-Base interactions energy: -38.911
where: short stacking energy: -30.782
Base-Backbone interact. energy: -0.244
local terms energy: -59.312871
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -12.814
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: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -158.629013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.629013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.629013 (E_RNA)
where:
Base-Base interactions energy: -98.525
where: short stacking energy: -46.204
Base-Backbone interact. energy: -0.248
local terms energy: -59.856009
where:
bonds (distance) C4'-P energy: -10.046
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -83.144455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.144455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.144455 (E_RNA)
where:
Base-Base interactions energy: -34.894
where: short stacking energy: -31.391
Base-Backbone interact. energy: 0.205
local terms energy: -48.455197
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -11.072
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -5.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -98.317867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.317867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.317867 (E_RNA)
where:
Base-Base interactions energy: -41.326
where: short stacking energy: -36.656
Base-Backbone interact. energy: 1.722
local terms energy: -58.713651
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -6.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -79.330949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.330949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.330949 (E_RNA)
where:
Base-Base interactions energy: -26.802
where: short stacking energy: -26.802
Base-Backbone interact. energy: -0.302
local terms energy: -52.227262
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -0.243
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: 4
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -73.398838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.398838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.398838 (E_RNA)
where:
Base-Base interactions energy: -25.944
where: short stacking energy: -23.809
Base-Backbone interact. energy: -0.423
local terms energy: -47.031636
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -10.544
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -5.376
tors. eta vs tors. theta energy: -2.361
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: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -215.924699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.924699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.924699 (E_RNA)
where:
Base-Base interactions energy: -133.832
where: short stacking energy: -67.200
Base-Backbone interact. energy: -0.004
local terms energy: -82.088828
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -13.813
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: 210
Temperature: 0.950000
Total energy: -187.425178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.425178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.425178 (E_RNA)
where:
Base-Base interactions energy: -124.887
where: short stacking energy: -47.809
Base-Backbone interact. energy: -0.477
local terms energy: -62.061419
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -198.487949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.487949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.487949 (E_RNA)
where:
Base-Base interactions energy: -119.920
where: short stacking energy: -64.337
Base-Backbone interact. energy: -0.099
local terms energy: -78.469529
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -20.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -176.549807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.549807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.549807 (E_RNA)
where:
Base-Base interactions energy: -99.700
where: short stacking energy: -52.798
Base-Backbone interact. energy: -0.341
local terms energy: -76.508703
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -156.817913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.817913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.817913 (E_RNA)
where:
Base-Base interactions energy: -98.033
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.567
local terms energy: -58.218312
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -91.703937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.703937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.703937 (E_RNA)
where:
Base-Base interactions energy: -36.795
where: short stacking energy: -29.151
Base-Backbone interact. energy: -0.110
local terms energy: -54.799325
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -8.980
flat angles P-C4'-P energy: -13.429
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: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -95.791106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.791106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.791106 (E_RNA)
where:
Base-Base interactions energy: -37.108
where: short stacking energy: -37.108
Base-Backbone interact. energy: -0.100
local terms energy: -58.583400
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -7.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -85.437796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.437796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.437796 (E_RNA)
where:
Base-Base interactions energy: -33.216
where: short stacking energy: -27.779
Base-Backbone interact. energy: -0.299
local terms energy: -51.922942
where:
bonds (distance) C4'-P energy: -11.889
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -9.202
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: 9, replica: 4
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -78.075508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.075508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.075508 (E_RNA)
where:
Base-Base interactions energy: -25.385
where: short stacking energy: -12.792
Base-Backbone interact. energy: -0.347
local terms energy: -52.343402
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -10.443
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: 10, replica: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -80.244460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.244460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.244460 (E_RNA)
where:
Base-Base interactions energy: -39.820
where: short stacking energy: -39.820
Base-Backbone interact. energy: -0.020
local terms energy: -40.404416
where:
bonds (distance) C4'-P energy: -7.692
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -213.017474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.017474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.017474 (E_RNA)
where:
Base-Base interactions energy: -131.102
where: short stacking energy: -64.652
Base-Backbone interact. energy: -1.390
local terms energy: -80.525321
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -13.776
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: 2, replica: 3
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -201.484080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.484080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.484080 (E_RNA)
where:
Base-Base interactions energy: -132.911
where: short stacking energy: -63.695
Base-Backbone interact. energy: -0.033
local terms energy: -68.539532
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -3.324
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: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -179.168708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.168708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.168708 (E_RNA)
where:
Base-Base interactions energy: -110.910
where: short stacking energy: -57.074
Base-Backbone interact. energy: -0.136
local terms energy: -68.122351
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -163.022096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.022096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.022096 (E_RNA)
where:
Base-Base interactions energy: -102.685
where: short stacking energy: -46.518
Base-Backbone interact. energy: -0.050
local terms energy: -60.287096
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -7.609
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: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -164.105313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.105313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.105313 (E_RNA)
where:
Base-Base interactions energy: -109.310
where: short stacking energy: -44.699
Base-Backbone interact. energy: -0.058
local terms energy: -54.737139
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -7.922
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -4.486
tors. eta vs tors. theta energy: -14.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -95.142167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.142167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.142167 (E_RNA)
where:
Base-Base interactions energy: -45.631
where: short stacking energy: -30.399
Base-Backbone interact. energy: -0.018
local terms energy: -49.493444
where:
bonds (distance) C4'-P energy: -10.560
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -5.846
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: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -92.948790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.948790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.948790 (E_RNA)
where:
Base-Base interactions energy: -33.888
where: short stacking energy: -34.188
Base-Backbone interact. energy: 1.724
local terms energy: -60.784760
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -87.966479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.966479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.966479 (E_RNA)
where:
Base-Base interactions energy: -34.938
where: short stacking energy: -29.206
Base-Backbone interact. energy: 0.140
local terms energy: -53.168728
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -5.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -78.415610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.415610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.415610 (E_RNA)
where:
Base-Base interactions energy: -26.949
where: short stacking energy: -26.949
Base-Backbone interact. energy: -0.118
local terms energy: -51.347913
where:
bonds (distance) C4'-P energy: -8.558
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -1.752
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: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -80.471505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.471505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.471505 (E_RNA)
where:
Base-Base interactions energy: -33.750
where: short stacking energy: -33.112
Base-Backbone interact. energy: -0.023
local terms energy: -46.697715
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -10.567
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -6.511
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: 3
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -208.190381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.190381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.190381 (E_RNA)
where:
Base-Base interactions energy: -133.844
where: short stacking energy: -61.828
Base-Backbone interact. energy: -0.612
local terms energy: -73.733796
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -10.271
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -202.690842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.690842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.690842 (E_RNA)
where:
Base-Base interactions energy: -130.629
where: short stacking energy: -58.291
Base-Backbone interact. energy: -0.664
local terms energy: -71.397415
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -16.802
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: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -189.221681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.221681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.221681 (E_RNA)
where:
Base-Base interactions energy: -118.859
where: short stacking energy: -55.260
Base-Backbone interact. energy: -0.101
local terms energy: -70.261216
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -6.479
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: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -162.708695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.708695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.708695 (E_RNA)
where:
Base-Base interactions energy: -100.663
where: short stacking energy: -51.973
Base-Backbone interact. energy: -0.077
local terms energy: -61.967780
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -15.476
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: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -152.900118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.900118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.900118 (E_RNA)
where:
Base-Base interactions energy: -93.109
where: short stacking energy: -49.804
Base-Backbone interact. energy: -0.889
local terms energy: -58.901860
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -9.685
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -11.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -96.529605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.529605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.529605 (E_RNA)
where:
Base-Base interactions energy: -41.290
where: short stacking energy: -34.763
Base-Backbone interact. energy: -0.171
local terms energy: -55.068072
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -81.665523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.665523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.665523 (E_RNA)
where:
Base-Base interactions energy: -25.600
where: short stacking energy: -25.600
Base-Backbone interact. energy: 0.954
local terms energy: -57.019582
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -86.165675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.165675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.165675 (E_RNA)
where:
Base-Base interactions energy: -31.403
where: short stacking energy: -27.124
Base-Backbone interact. energy: -0.037
local terms energy: -54.725670
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -6.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -73.621341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.621341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.621341 (E_RNA)
where:
Base-Base interactions energy: -24.071
where: short stacking energy: -22.084
Base-Backbone interact. energy: -0.811
local terms energy: -48.739507
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -5.230
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: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -72.017723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.017723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.017723 (E_RNA)
where:
Base-Base interactions energy: -24.903
where: short stacking energy: -20.875
Base-Backbone interact. energy: 0.832
local terms energy: -47.946939
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: 1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -206.354137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.354137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.354137 (E_RNA)
where:
Base-Base interactions energy: -136.232
where: short stacking energy: -56.406
Base-Backbone interact. energy: -0.056
local terms energy: -70.066283
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -11.899
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -7.124
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: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -198.135299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.135299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.135299 (E_RNA)
where:
Base-Base interactions energy: -126.669
where: short stacking energy: -60.049
Base-Backbone interact. energy: -0.001
local terms energy: -71.464576
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -18.932
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: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -195.895302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.895302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.895302 (E_RNA)
where:
Base-Base interactions energy: -124.842
where: short stacking energy: -62.656
Base-Backbone interact. energy: -0.064
local terms energy: -70.989387
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -11.785
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -171.790327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.790327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.790327 (E_RNA)
where:
Base-Base interactions energy: -100.140
where: short stacking energy: -43.697
Base-Backbone interact. energy: -0.049
local terms energy: -71.600820
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -12.453
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: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -176.217501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.217501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.217501 (E_RNA)
where:
Base-Base interactions energy: -110.110
where: short stacking energy: -53.379
Base-Backbone interact. energy: -0.050
local terms energy: -66.057756
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -16.102
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: 6
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -84.871403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.871403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.871403 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -28.079
Base-Backbone interact. energy: -0.280
local terms energy: -50.714290
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -10.508
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: 7, replica: 7
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -89.156218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.156218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.156218 (E_RNA)
where:
Base-Base interactions energy: -31.542
where: short stacking energy: -31.942
Base-Backbone interact. energy: -0.170
local terms energy: -57.444790
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -5.560
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: 213
Temperature: 1.250000
Total energy: -85.028942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.028942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.028942 (E_RNA)
where:
Base-Base interactions energy: -34.214
where: short stacking energy: -34.214
Base-Backbone interact. energy: -0.016
local terms energy: -50.799107
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -75.635116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.635116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.635116 (E_RNA)
where:
Base-Base interactions energy: -23.104
where: short stacking energy: -23.104
Base-Backbone interact. energy: -0.100
local terms energy: -52.431259
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -12.716
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -68.113853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.113853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.113853 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -12.973
Base-Backbone interact. energy: -0.471
local terms energy: -36.355698
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -10.021
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: 2.004
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: 214
Temperature: 0.900000
Total energy: -204.843623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.843623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.843623 (E_RNA)
where:
Base-Base interactions energy: -126.903
where: short stacking energy: -70.986
Base-Backbone interact. energy: -0.026
local terms energy: -77.914621
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -20.130
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: 2, replica: 2
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -196.474668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.474668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.474668 (E_RNA)
where:
Base-Base interactions energy: -128.351
where: short stacking energy: -60.800
Base-Backbone interact. energy: 0.843
local terms energy: -68.966913
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -14.304
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: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -194.244271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.244271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.244271 (E_RNA)
where:
Base-Base interactions energy: -124.264
where: short stacking energy: -59.680
Base-Backbone interact. energy: -0.359
local terms energy: -69.621740
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -175.785427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.785427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.785427 (E_RNA)
where:
Base-Base interactions energy: -106.842
where: short stacking energy: -41.678
Base-Backbone interact. energy: -0.246
local terms energy: -68.697590
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -168.232758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.232758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.232758 (E_RNA)
where:
Base-Base interactions energy: -105.375
where: short stacking energy: -49.352
Base-Backbone interact. energy: 0.004
local terms energy: -62.862322
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -15.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -97.548282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.548282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.548282 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -34.828
Base-Backbone interact. energy: -0.029
local terms energy: -62.691254
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -6.810
tors. eta vs tors. theta energy: -11.980
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: 214
Temperature: 1.200000
Total energy: -84.511450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.511450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.511450 (E_RNA)
where:
Base-Base interactions energy: -35.227
where: short stacking energy: -34.226
Base-Backbone interact. energy: -0.151
local terms energy: -49.133907
where:
bonds (distance) C4'-P energy: -6.344
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -8.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -85.069900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.069900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.069900 (E_RNA)
where:
Base-Base interactions energy: -36.576
where: short stacking energy: -36.576
Base-Backbone interact. energy: -0.220
local terms energy: -48.273439
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -8.865
flat angles C4'-P-C4' energy: -8.109
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -7.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -84.390663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.390663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.390663 (E_RNA)
where:
Base-Base interactions energy: -35.015
where: short stacking energy: -24.152
Base-Backbone interact. energy: -0.463
local terms energy: -48.912709
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: 0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -74.943173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.943173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.943173 (E_RNA)
where:
Base-Base interactions energy: -31.310
where: short stacking energy: -28.151
Base-Backbone interact. energy: -0.201
local terms energy: -43.432347
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -9.521
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -197.144839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.144839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.144839 (E_RNA)
where:
Base-Base interactions energy: -128.246
where: short stacking energy: -64.995
Base-Backbone interact. energy: 0.298
local terms energy: -69.196741
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -5.201
tors. eta vs tors. theta energy: -21.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -199.306303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.306303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.306303 (E_RNA)
where:
Base-Base interactions energy: -130.499
where: short stacking energy: -47.025
Base-Backbone interact. energy: -0.007
local terms energy: -68.800022
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: -15.460
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: 2
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -187.216894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.216894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.216894 (E_RNA)
where:
Base-Base interactions energy: -113.446
where: short stacking energy: -53.236
Base-Backbone interact. energy: -0.147
local terms energy: -73.623595
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -187.732156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.732156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.732156 (E_RNA)
where:
Base-Base interactions energy: -120.097
where: short stacking energy: -57.386
Base-Backbone interact. energy: -0.025
local terms energy: -67.609550
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -16.955
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: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -164.597173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.597173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.597173 (E_RNA)
where:
Base-Base interactions energy: -100.226
where: short stacking energy: -45.369
Base-Backbone interact. energy: -0.078
local terms energy: -64.293327
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -10.464
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -12.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -109.860995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.860995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.860995 (E_RNA)
where:
Base-Base interactions energy: -46.399
where: short stacking energy: -35.585
Base-Backbone interact. energy: -0.369
local terms energy: -63.092504
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -7.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -86.415857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.415857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.415857 (E_RNA)
where:
Base-Base interactions energy: -34.399
where: short stacking energy: -30.864
Base-Backbone interact. energy: -0.294
local terms energy: -51.723111
where:
bonds (distance) C4'-P energy: -11.005
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -0.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -83.425801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.425801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.425801 (E_RNA)
where:
Base-Base interactions energy: -35.590
where: short stacking energy: -31.031
Base-Backbone interact. energy: 0.547
local terms energy: -48.383052
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -8.635
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -4.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -80.382200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.382200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.382200 (E_RNA)
where:
Base-Base interactions energy: -29.578
where: short stacking energy: -29.578
Base-Backbone interact. energy: -0.122
local terms energy: -50.682318
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -7.800
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -4.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -84.363888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.363888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.363888 (E_RNA)
where:
Base-Base interactions energy: -27.596
where: short stacking energy: -27.596
Base-Backbone interact. energy: -0.011
local terms energy: -56.756641
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -3.872
tors. eta vs tors. theta energy: -12.224
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: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -207.773102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.773102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.773102 (E_RNA)
where:
Base-Base interactions energy: -139.211
where: short stacking energy: -59.767
Base-Backbone interact. energy: -0.003
local terms energy: -68.559607
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -17.932
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: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -193.239698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.239698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.239698 (E_RNA)
where:
Base-Base interactions energy: -125.381
where: short stacking energy: -65.033
Base-Backbone interact. energy: -0.723
local terms energy: -67.135458
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -14.895
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -175.196757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.196757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.196757 (E_RNA)
where:
Base-Base interactions energy: -110.165
where: short stacking energy: -46.627
Base-Backbone interact. energy: -0.134
local terms energy: -64.897662
where:
bonds (distance) C4'-P energy: -6.146
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -178.202913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.202913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.202913 (E_RNA)
where:
Base-Base interactions energy: -102.772
where: short stacking energy: -46.351
Base-Backbone interact. energy: -0.702
local terms energy: -74.728319
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -161.597658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.597658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.597658 (E_RNA)
where:
Base-Base interactions energy: -100.686
where: short stacking energy: -44.020
Base-Backbone interact. energy: 0.282
local terms energy: -61.193813
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -10.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -88.534142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.534142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.534142 (E_RNA)
where:
Base-Base interactions energy: -36.164
where: short stacking energy: -27.724
Base-Backbone interact. energy: -0.219
local terms energy: -52.151345
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -8.550
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -4.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -87.062706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.062706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.062706 (E_RNA)
where:
Base-Base interactions energy: -38.605
where: short stacking energy: -27.958
Base-Backbone interact. energy: -0.300
local terms energy: -48.157690
where:
bonds (distance) C4'-P energy: -9.744
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -97.549923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.549923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.549923 (E_RNA)
where:
Base-Base interactions energy: -34.233
where: short stacking energy: -34.233
Base-Backbone interact. energy: -0.022
local terms energy: -63.295307
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -10.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -88.087790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.087790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.087790 (E_RNA)
where:
Base-Base interactions energy: -48.433
where: short stacking energy: -27.296
Base-Backbone interact. energy: 0.090
local terms energy: -39.744990
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: 0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -65.691951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.691951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.691951 (E_RNA)
where:
Base-Base interactions energy: -21.943
where: short stacking energy: -21.943
Base-Backbone interact. energy: -0.168
local terms energy: -43.581427
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -6.046
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -193.575170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.575170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.575170 (E_RNA)
where:
Base-Base interactions energy: -118.244
where: short stacking energy: -56.349
Base-Backbone interact. energy: -0.274
local terms energy: -75.056559
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -13.855
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -203.991506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.991506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.991506 (E_RNA)
where:
Base-Base interactions energy: -131.648
where: short stacking energy: -61.601
Base-Backbone interact. energy: -0.002
local terms energy: -72.341550
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -181.473626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.473626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.473626 (E_RNA)
where:
Base-Base interactions energy: -112.510
where: short stacking energy: -60.017
Base-Backbone interact. energy: -0.166
local terms energy: -68.797635
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -14.034
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: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -168.943031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.943031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.943031 (E_RNA)
where:
Base-Base interactions energy: -105.719
where: short stacking energy: -48.834
Base-Backbone interact. energy: -0.840
local terms energy: -62.384351
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -7.246
tors. eta vs tors. theta energy: -13.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -170.362765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.362765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.362765 (E_RNA)
where:
Base-Base interactions energy: -101.157
where: short stacking energy: -48.747
Base-Backbone interact. energy: -0.014
local terms energy: -69.191326
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -15.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -97.855624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.855624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.855624 (E_RNA)
where:
Base-Base interactions energy: -42.832
where: short stacking energy: -21.802
Base-Backbone interact. energy: -0.256
local terms energy: -54.767138
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -8.479
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: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -86.907087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.907087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.907087 (E_RNA)
where:
Base-Base interactions energy: -45.977
where: short stacking energy: -34.183
Base-Backbone interact. energy: -0.217
local terms energy: -40.712761
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -7.708
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -88.328505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.328505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.328505 (E_RNA)
where:
Base-Base interactions energy: -34.713
where: short stacking energy: -31.442
Base-Backbone interact. energy: -0.111
local terms energy: -53.503949
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -5.986
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: 217
Temperature: 1.300000
Total energy: -80.433035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.433035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.433035 (E_RNA)
where:
Base-Base interactions energy: -30.096
where: short stacking energy: -25.334
Base-Backbone interact. energy: -0.243
local terms energy: -50.094346
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -8.878
flat angles P-C4'-P energy: -6.100
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: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -72.429698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.429698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.429698 (E_RNA)
where:
Base-Base interactions energy: -34.058
where: short stacking energy: -19.361
Base-Backbone interact. energy: -0.183
local terms energy: -38.188132
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -3.973
tors. eta vs tors. theta energy: 6.669
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: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -208.205956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.205956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.205956 (E_RNA)
where:
Base-Base interactions energy: -136.340
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.836
local terms energy: -71.029719
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.427
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -12.149
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: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -200.910172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.910172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.910172 (E_RNA)
where:
Base-Base interactions energy: -129.077
where: short stacking energy: -60.156
Base-Backbone interact. energy: -0.086
local terms energy: -71.746657
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -7.495
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -167.437253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.437253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.437253 (E_RNA)
where:
Base-Base interactions energy: -103.571
where: short stacking energy: -48.864
Base-Backbone interact. energy: -0.125
local terms energy: -63.741496
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -10.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -184.827755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.827755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.827755 (E_RNA)
where:
Base-Base interactions energy: -118.499
where: short stacking energy: -62.180
Base-Backbone interact. energy: -0.011
local terms energy: -66.317359
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -7.261
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -17.716
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: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -178.160995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.160995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.160995 (E_RNA)
where:
Base-Base interactions energy: -107.877
where: short stacking energy: -54.312
Base-Backbone interact. energy: -0.152
local terms energy: -70.132074
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -15.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -85.349746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.349746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.349746 (E_RNA)
where:
Base-Base interactions energy: -30.757
where: short stacking energy: -27.993
Base-Backbone interact. energy: 0.929
local terms energy: -55.521291
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -6.432
tors. eta vs tors. theta energy: -2.421
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: 218
Temperature: 1.200000
Total energy: -95.954264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.954264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.954264 (E_RNA)
where:
Base-Base interactions energy: -39.474
where: short stacking energy: -33.494
Base-Backbone interact. energy: -0.428
local terms energy: -56.052759
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -9.819
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -10.611
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: 218
Temperature: 1.250000
Total energy: -80.624018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.624018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.624018 (E_RNA)
where:
Base-Base interactions energy: -25.215
where: short stacking energy: -22.734
Base-Backbone interact. energy: -0.114
local terms energy: -55.295334
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -3.287
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: 9, replica: 4
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -73.594512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.594512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.594512 (E_RNA)
where:
Base-Base interactions energy: -19.808
where: short stacking energy: -19.417
Base-Backbone interact. energy: -0.081
local terms energy: -53.705661
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -9.791
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -7.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -75.958227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.958227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.958227 (E_RNA)
where:
Base-Base interactions energy: -27.913
where: short stacking energy: -26.922
Base-Backbone interact. energy: 0.474
local terms energy: -48.518915
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -7.449
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: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -205.189248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.189248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.189248 (E_RNA)
where:
Base-Base interactions energy: -130.777
where: short stacking energy: -57.222
Base-Backbone interact. energy: -0.057
local terms energy: -74.355522
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -205.571476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.571476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.571476 (E_RNA)
where:
Base-Base interactions energy: -128.700
where: short stacking energy: -61.381
Base-Backbone interact. energy: -0.940
local terms energy: -75.931426
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -11.617
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: 3, replica: 10
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -181.865583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.865583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.865583 (E_RNA)
where:
Base-Base interactions energy: -120.706
where: short stacking energy: -63.652
Base-Backbone interact. energy: -0.239
local terms energy: -60.920518
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -11.889
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: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -176.242574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.242574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.242574 (E_RNA)
where:
Base-Base interactions energy: -109.626
where: short stacking energy: -45.072
Base-Backbone interact. energy: -0.162
local terms energy: -66.454883
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -8.355
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: 5, replica: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -185.796691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.796691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.796691 (E_RNA)
where:
Base-Base interactions energy: -120.027
where: short stacking energy: -58.626
Base-Backbone interact. energy: -0.254
local terms energy: -65.515822
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -14.533
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: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -100.547164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.547164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.547164 (E_RNA)
where:
Base-Base interactions energy: -38.600
where: short stacking energy: -38.600
Base-Backbone interact. energy: -0.053
local terms energy: -61.893859
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -10.802
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: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -87.082668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.082668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.082668 (E_RNA)
where:
Base-Base interactions energy: -39.459
where: short stacking energy: -39.459
Base-Backbone interact. energy: -0.031
local terms energy: -47.593012
where:
bonds (distance) C4'-P energy: -4.974
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -5.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -90.254448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.254448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.254448 (E_RNA)
where:
Base-Base interactions energy: -36.998
where: short stacking energy: -36.998
Base-Backbone interact. energy: -0.041
local terms energy: -53.215466
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -3.865
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: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -91.769745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.769745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.769745 (E_RNA)
where:
Base-Base interactions energy: -42.474
where: short stacking energy: -42.474
Base-Backbone interact. energy: -0.000
local terms energy: -49.295030
where:
bonds (distance) C4'-P energy: -11.839
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -8.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -67.753823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.753823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.753823 (E_RNA)
where:
Base-Base interactions energy: -23.481
where: short stacking energy: -11.848
Base-Backbone interact. energy: -0.215
local terms energy: -44.058074
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -9.113
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: 1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -205.085469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.085469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.085469 (E_RNA)
where:
Base-Base interactions energy: -126.231
where: short stacking energy: -67.815
Base-Backbone interact. energy: -0.001
local terms energy: -78.853602
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -204.349644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.349644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.349644 (E_RNA)
where:
Base-Base interactions energy: -128.017
where: short stacking energy: -68.460
Base-Backbone interact. energy: -0.070
local terms energy: -76.262464
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -20.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -182.392933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.392933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.392933 (E_RNA)
where:
Base-Base interactions energy: -111.001
where: short stacking energy: -57.082
Base-Backbone interact. energy: -0.040
local terms energy: -71.352500
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -12.602
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: 4, replica: 10
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -179.633359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.633359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.633359 (E_RNA)
where:
Base-Base interactions energy: -108.981
where: short stacking energy: -43.364
Base-Backbone interact. energy: -0.023
local terms energy: -70.628932
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -11.675
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -179.298015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.298015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.298015 (E_RNA)
where:
Base-Base interactions energy: -116.829
where: short stacking energy: -51.693
Base-Backbone interact. energy: -0.133
local terms energy: -62.336025
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -89.991017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.991017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.991017 (E_RNA)
where:
Base-Base interactions energy: -35.997
where: short stacking energy: -35.997
Base-Backbone interact. energy: -0.139
local terms energy: -53.854309
where:
bonds (distance) C4'-P energy: -15.821
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -2.441
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: 7, replica: 4
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -87.224134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.224134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.224134 (E_RNA)
where:
Base-Base interactions energy: -32.989
where: short stacking energy: -32.989
Base-Backbone interact. energy: -0.081
local terms energy: -54.154238
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -5.846
tors. eta vs tors. theta energy: -6.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -84.315478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.315478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.315478 (E_RNA)
where:
Base-Base interactions energy: -25.484
where: short stacking energy: -24.913
Base-Backbone interact. energy: -0.285
local terms energy: -58.546118
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -96.752137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.752137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.752137 (E_RNA)
where:
Base-Base interactions energy: -49.836
where: short stacking energy: -26.462
Base-Backbone interact. energy: -0.091
local terms energy: -46.825253
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -8.372
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -6.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -80.400134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.400134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.400134 (E_RNA)
where:
Base-Base interactions energy: -29.325
where: short stacking energy: -26.676
Base-Backbone interact. energy: -0.214
local terms energy: -50.861785
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -205.911537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.911537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.911537 (E_RNA)
where:
Base-Base interactions energy: -131.820
where: short stacking energy: -62.278
Base-Backbone interact. energy: -0.002
local terms energy: -74.088915
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -199.603523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.603523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.603523 (E_RNA)
where:
Base-Base interactions energy: -130.255
where: short stacking energy: -63.570
Base-Backbone interact. energy: 0.506
local terms energy: -69.854493
where:
bonds (distance) C4'-P energy: -9.719
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -10.981
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: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -185.546378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.546378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.546378 (E_RNA)
where:
Base-Base interactions energy: -113.588
where: short stacking energy: -52.460
Base-Backbone interact. energy: -0.711
local terms energy: -71.248147
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -15.510
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: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -202.579179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.579179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.579179 (E_RNA)
where:
Base-Base interactions energy: -137.166
where: short stacking energy: -65.600
Base-Backbone interact. energy: -0.030
local terms energy: -65.383944
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -171.704271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.704271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.704271 (E_RNA)
where:
Base-Base interactions energy: -104.526
where: short stacking energy: -48.381
Base-Backbone interact. energy: -0.169
local terms energy: -67.008633
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -13.957
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: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -99.675934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.675934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.675934 (E_RNA)
where:
Base-Base interactions energy: -39.083
where: short stacking energy: -38.932
Base-Backbone interact. energy: -0.007
local terms energy: -60.586590
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -98.965768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.965768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.965768 (E_RNA)
where:
Base-Base interactions energy: -46.818
where: short stacking energy: -36.980
Base-Backbone interact. energy: -0.212
local terms energy: -51.934937
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -14.901
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -6.364
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -123.986288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.986288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.986288 (E_RNA)
where:
Base-Base interactions energy: -63.215
where: short stacking energy: -35.197
Base-Backbone interact. energy: -0.401
local terms energy: -60.370629
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -11.926
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -79.176273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.176273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.176273 (E_RNA)
where:
Base-Base interactions energy: -30.921
where: short stacking energy: -18.002
Base-Backbone interact. energy: -0.260
local terms energy: -47.995729
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -9.930
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: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -75.488509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.488509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.488509 (E_RNA)
where:
Base-Base interactions energy: -26.884
where: short stacking energy: -25.506
Base-Backbone interact. energy: -0.281
local terms energy: -48.323357
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -2.454
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -213.543624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.543624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.543624 (E_RNA)
where:
Base-Base interactions energy: -139.209
where: short stacking energy: -57.513
Base-Backbone interact. energy: 0.121
local terms energy: -74.456387
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -14.055
flat angles P-C4'-P energy: -10.258
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: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -205.810207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.810207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.810207 (E_RNA)
where:
Base-Base interactions energy: -128.822
where: short stacking energy: -69.315
Base-Backbone interact. energy: -0.003
local terms energy: -76.985183
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -179.127999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.127999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.127999 (E_RNA)
where:
Base-Base interactions energy: -112.808
where: short stacking energy: -50.016
Base-Backbone interact. energy: -1.090
local terms energy: -65.229572
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -10.171
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -16.800
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: 2
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -175.599987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.599987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.599987 (E_RNA)
where:
Base-Base interactions energy: -104.203
where: short stacking energy: -50.626
Base-Backbone interact. energy: 0.618
local terms energy: -72.015382
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -9.410
tors. eta vs tors. theta energy: -14.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -172.588954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.588954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.588954 (E_RNA)
where:
Base-Base interactions energy: -105.793
where: short stacking energy: -44.318
Base-Backbone interact. energy: -0.656
local terms energy: -66.140575
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -102.792806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.792806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.792806 (E_RNA)
where:
Base-Base interactions energy: -37.219
where: short stacking energy: -37.219
Base-Backbone interact. energy: -0.033
local terms energy: -65.541412
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -135.178973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.178973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.178973 (E_RNA)
where:
Base-Base interactions energy: -78.293
where: short stacking energy: -28.545
Base-Backbone interact. energy: -0.284
local terms energy: -56.602584
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -89.612448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.612448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.612448 (E_RNA)
where:
Base-Base interactions energy: -41.085
where: short stacking energy: -16.967
Base-Backbone interact. energy: -1.242
local terms energy: -47.285155
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -6.034
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: 0.217
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: 222
Temperature: 1.300000
Total energy: -76.828113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.828113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.828113 (E_RNA)
where:
Base-Base interactions energy: -22.691
where: short stacking energy: -21.013
Base-Backbone interact. energy: 2.827
local terms energy: -56.964605
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -74.634425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.634425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.634425 (E_RNA)
where:
Base-Base interactions energy: -37.331
where: short stacking energy: -22.952
Base-Backbone interact. energy: -0.247
local terms energy: -37.056481
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -8.691
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -4.952
tors. eta vs tors. theta energy: -0.521
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: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -209.840077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.840077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.840077 (E_RNA)
where:
Base-Base interactions energy: -137.648
where: short stacking energy: -51.675
Base-Backbone interact. energy: -0.014
local terms energy: -72.178378
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -10.111
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: 2, replica: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -196.785717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.785717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.785717 (E_RNA)
where:
Base-Base interactions energy: -123.844
where: short stacking energy: -58.139
Base-Backbone interact. energy: -0.179
local terms energy: -72.762939
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -196.680252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.680252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.680252 (E_RNA)
where:
Base-Base interactions energy: -132.108
where: short stacking energy: -54.090
Base-Backbone interact. energy: -0.069
local terms energy: -64.503193
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -13.302
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: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -169.434841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.434841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.434841 (E_RNA)
where:
Base-Base interactions energy: -102.933
where: short stacking energy: -42.858
Base-Backbone interact. energy: -0.058
local terms energy: -66.444135
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -14.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -170.050701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.050701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.050701 (E_RNA)
where:
Base-Base interactions energy: -103.125
where: short stacking energy: -43.641
Base-Backbone interact. energy: 0.036
local terms energy: -66.961170
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -10.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -143.065280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.065280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.065280 (E_RNA)
where:
Base-Base interactions energy: -93.548
where: short stacking energy: -48.159
Base-Backbone interact. energy: -0.260
local terms energy: -49.257788
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -8.947
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -5.150
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: 223
Temperature: 1.200000
Total energy: -99.830660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.830660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.830660 (E_RNA)
where:
Base-Base interactions energy: -43.862
where: short stacking energy: -31.883
Base-Backbone interact. energy: -0.112
local terms energy: -55.857205
where:
bonds (distance) C4'-P energy: -11.623
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -10.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -91.097912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.097912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.097912 (E_RNA)
where:
Base-Base interactions energy: -42.251
where: short stacking energy: -29.509
Base-Backbone interact. energy: -0.012
local terms energy: -48.834580
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -6.414
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: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -78.061971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.061971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.061971 (E_RNA)
where:
Base-Base interactions energy: -27.391
where: short stacking energy: -24.429
Base-Backbone interact. energy: -0.153
local terms energy: -50.517473
where:
bonds (distance) C4'-P energy: -9.307
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -8.929
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: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -82.036820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.036820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.036820 (E_RNA)
where:
Base-Base interactions energy: -46.648
where: short stacking energy: -29.338
Base-Backbone interact. energy: -0.333
local terms energy: -35.055769
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -9.936
flat angles C4'-P-C4' energy: -7.042
flat angles P-C4'-P energy: -5.527
tors. eta vs tors. theta energy: -3.404
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: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -191.411187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.411187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.411187 (E_RNA)
where:
Base-Base interactions energy: -122.134
where: short stacking energy: -57.767
Base-Backbone interact. energy: -0.043
local terms energy: -69.233576
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -209.595221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.595221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.595221 (E_RNA)
where:
Base-Base interactions energy: -136.275
where: short stacking energy: -57.926
Base-Backbone interact. energy: -0.003
local terms energy: -73.317013
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -12.830
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: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -186.154929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.154929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.154929 (E_RNA)
where:
Base-Base interactions energy: -114.153
where: short stacking energy: -54.300
Base-Backbone interact. energy: -0.073
local terms energy: -71.929223
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -16.719
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: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -179.477449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.477449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.477449 (E_RNA)
where:
Base-Base interactions energy: -113.363
where: short stacking energy: -59.565
Base-Backbone interact. energy: -0.475
local terms energy: -65.639025
where:
bonds (distance) C4'-P energy: -12.990
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -13.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -160.173436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.173436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.173436 (E_RNA)
where:
Base-Base interactions energy: -95.272
where: short stacking energy: -50.730
Base-Backbone interact. energy: -0.027
local terms energy: -64.874022
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -10.142
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: 6, replica: 2
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -166.411020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.411020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.411020 (E_RNA)
where:
Base-Base interactions energy: -102.343
where: short stacking energy: -42.831
Base-Backbone interact. energy: -0.434
local terms energy: -63.633477
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -9.068
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -100.118177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.118177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.118177 (E_RNA)
where:
Base-Base interactions energy: -38.970
where: short stacking energy: -38.970
Base-Backbone interact. energy: -0.136
local terms energy: -61.012235
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -97.973199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.973199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.973199 (E_RNA)
where:
Base-Base interactions energy: -36.931
where: short stacking energy: -36.931
Base-Backbone interact. energy: 0.723
local terms energy: -61.765474
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -9.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -70.669182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.669182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.669182 (E_RNA)
where:
Base-Base interactions energy: -26.513
where: short stacking energy: -20.745
Base-Backbone interact. energy: -0.017
local terms energy: -44.139082
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -8.287
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: 3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -72.651815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.651815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.651815 (E_RNA)
where:
Base-Base interactions energy: -23.501
where: short stacking energy: -20.481
Base-Backbone interact. energy: -0.259
local terms energy: -48.891866
where:
bonds (distance) C4'-P energy: -13.505
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -203.928429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.928429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.928429 (E_RNA)
where:
Base-Base interactions energy: -130.005
where: short stacking energy: -69.771
Base-Backbone interact. energy: -0.003
local terms energy: -73.920442
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -205.659910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.659910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.659910 (E_RNA)
where:
Base-Base interactions energy: -128.499
where: short stacking energy: -57.664
Base-Backbone interact. energy: -0.001
local terms energy: -77.159648
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -19.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -192.957024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.957024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.957024 (E_RNA)
where:
Base-Base interactions energy: -117.160
where: short stacking energy: -67.410
Base-Backbone interact. energy: -0.010
local terms energy: -75.787265
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -181.685829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.685829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.685829 (E_RNA)
where:
Base-Base interactions energy: -116.608
where: short stacking energy: -55.052
Base-Backbone interact. energy: -0.460
local terms energy: -64.618091
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -8.986
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -8.255
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: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -177.771244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.771244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.771244 (E_RNA)
where:
Base-Base interactions energy: -107.263
where: short stacking energy: -60.550
Base-Backbone interact. energy: -0.093
local terms energy: -70.415406
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -10.628
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -160.207725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.207725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.207725 (E_RNA)
where:
Base-Base interactions energy: -101.486
where: short stacking energy: -50.923
Base-Backbone interact. energy: -0.219
local terms energy: -58.503057
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -6.528
tors. eta vs tors. theta energy: -9.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -100.043171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.043171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.043171 (E_RNA)
where:
Base-Base interactions energy: -42.705
where: short stacking energy: -38.129
Base-Backbone interact. energy: 0.617
local terms energy: -57.954380
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -7.978
tors. eta vs tors. theta energy: -11.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -82.446001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.446001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.446001 (E_RNA)
where:
Base-Base interactions energy: -31.983
where: short stacking energy: -23.388
Base-Backbone interact. energy: 0.363
local terms energy: -50.826683
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -12.051
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: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -84.315659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.315659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.315659 (E_RNA)
where:
Base-Base interactions energy: -35.621
where: short stacking energy: -30.430
Base-Backbone interact. energy: -0.158
local terms energy: -48.536471
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -8.825
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -73.902851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.902851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.902851 (E_RNA)
where:
Base-Base interactions energy: -26.171
where: short stacking energy: -23.846
Base-Backbone interact. energy: -0.271
local terms energy: -47.461244
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -5.543
tors. eta vs tors. theta energy: -2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -207.227915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.227915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.227915 (E_RNA)
where:
Base-Base interactions energy: -128.543
where: short stacking energy: -68.628
Base-Backbone interact. energy: -1.154
local terms energy: -77.531095
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -11.853
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: 2, replica: 10
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -197.901661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.901661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.901661 (E_RNA)
where:
Base-Base interactions energy: -131.816
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.050
local terms energy: -66.035489
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -8.475
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -19.037
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: 1
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -187.941945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.941945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.941945 (E_RNA)
where:
Base-Base interactions energy: -119.662
where: short stacking energy: -57.399
Base-Backbone interact. energy: -0.068
local terms energy: -68.211973
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -12.715
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: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -187.631512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.631512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.631512 (E_RNA)
where:
Base-Base interactions energy: -122.863
where: short stacking energy: -58.184
Base-Backbone interact. energy: -0.555
local terms energy: -64.213870
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -7.789
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -163.478376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.478376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.478376 (E_RNA)
where:
Base-Base interactions energy: -97.476
where: short stacking energy: -36.270
Base-Backbone interact. energy: -0.665
local terms energy: -65.336887
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -11.619
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: 6, replica: 2
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -160.003021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.003021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.003021 (E_RNA)
where:
Base-Base interactions energy: -103.348
where: short stacking energy: -49.590
Base-Backbone interact. energy: -0.581
local terms energy: -56.074921
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -15.293
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: 7, replica: 4
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -82.090863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.090863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.090863 (E_RNA)
where:
Base-Base interactions energy: -35.193
where: short stacking energy: -35.193
Base-Backbone interact. energy: -0.183
local terms energy: -46.715656
where:
bonds (distance) C4'-P energy: -9.701
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -6.345
tors. eta vs tors. theta energy: -2.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -82.433297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.433297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.433297 (E_RNA)
where:
Base-Base interactions energy: -35.310
where: short stacking energy: -35.310
Base-Backbone interact. energy: -0.064
local terms energy: -47.059548
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -5.665
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: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -89.085699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.085699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.085699 (E_RNA)
where:
Base-Base interactions energy: -36.585
where: short stacking energy: -36.438
Base-Backbone interact. energy: -0.279
local terms energy: -52.221952
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -10.390
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -2.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -80.841424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.841424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.841424 (E_RNA)
where:
Base-Base interactions energy: -30.598
where: short stacking energy: -29.799
Base-Backbone interact. energy: 0.390
local terms energy: -50.632952
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -5.690
tors. eta vs tors. theta energy: -5.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -220.736798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.736798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.736798 (E_RNA)
where:
Base-Base interactions energy: -142.491
where: short stacking energy: -70.162
Base-Backbone interact. energy: -1.396
local terms energy: -76.849008
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -23.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -208.054730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.054730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.054730 (E_RNA)
where:
Base-Base interactions energy: -130.833
where: short stacking energy: -58.093
Base-Backbone interact. energy: -0.135
local terms energy: -77.086055
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -16.644
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -184.843155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.843155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.843155 (E_RNA)
where:
Base-Base interactions energy: -118.231
where: short stacking energy: -57.846
Base-Backbone interact. energy: 1.333
local terms energy: -67.944810
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -11.106
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: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -186.113519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.113519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.113519 (E_RNA)
where:
Base-Base interactions energy: -116.502
where: short stacking energy: -54.596
Base-Backbone interact. energy: -0.030
local terms energy: -69.581289
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -169.061298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.061298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.061298 (E_RNA)
where:
Base-Base interactions energy: -104.640
where: short stacking energy: -52.663
Base-Backbone interact. energy: -0.038
local terms energy: -64.382973
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -12.018
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: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -105.897491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.897491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.897491 (E_RNA)
where:
Base-Base interactions energy: -38.919
where: short stacking energy: -38.919
Base-Backbone interact. energy: -0.072
local terms energy: -66.906546
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -10.722
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: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -159.062137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.062137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.062137 (E_RNA)
where:
Base-Base interactions energy: -90.454
where: short stacking energy: -48.111
Base-Backbone interact. energy: -0.032
local terms energy: -68.575912
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -10.313
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: 8, replica: 9
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -79.619418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.619418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.619418 (E_RNA)
where:
Base-Base interactions energy: -36.198
where: short stacking energy: -26.521
Base-Backbone interact. energy: 0.738
local terms energy: -44.160244
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -7.852
flat angles P-C4'-P energy: -5.044
tors. eta vs tors. theta energy: -7.291
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: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -79.939304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.939304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.939304 (E_RNA)
where:
Base-Base interactions energy: -34.508
where: short stacking energy: -22.893
Base-Backbone interact. energy: -0.326
local terms energy: -45.105393
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -9.593
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -83.421278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.421278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.421278 (E_RNA)
where:
Base-Base interactions energy: -23.096
where: short stacking energy: -23.596
Base-Backbone interact. energy: -0.386
local terms energy: -59.939563
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -208.048210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.048210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.048210 (E_RNA)
where:
Base-Base interactions energy: -132.417
where: short stacking energy: -68.713
Base-Backbone interact. energy: -0.525
local terms energy: -75.106210
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -21.024
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: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -201.643952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.643952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.643952 (E_RNA)
where:
Base-Base interactions energy: -127.746
where: short stacking energy: -63.100
Base-Backbone interact. energy: -0.002
local terms energy: -73.896138
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -164.853189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.853189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.853189 (E_RNA)
where:
Base-Base interactions energy: -99.932
where: short stacking energy: -49.362
Base-Backbone interact. energy: -0.024
local terms energy: -64.897743
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -10.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -173.207811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.207811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.207811 (E_RNA)
where:
Base-Base interactions energy: -104.291
where: short stacking energy: -49.320
Base-Backbone interact. energy: -0.008
local terms energy: -68.909479
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -14.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -172.261333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.261333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.261333 (E_RNA)
where:
Base-Base interactions energy: -106.897
where: short stacking energy: -52.460
Base-Backbone interact. energy: 0.254
local terms energy: -65.618727
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -10.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -112.588262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.588262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.588262 (E_RNA)
where:
Base-Base interactions energy: -51.323
where: short stacking energy: -35.717
Base-Backbone interact. energy: -0.076
local terms energy: -61.188684
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -11.379
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -147.692088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.692088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.692088 (E_RNA)
where:
Base-Base interactions energy: -89.287
where: short stacking energy: -41.875
Base-Backbone interact. energy: -0.022
local terms energy: -58.383659
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -10.234
flat angles C4'-P-C4' energy: -8.063
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -11.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -78.810351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.810351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.810351 (E_RNA)
where:
Base-Base interactions energy: -21.786
where: short stacking energy: -21.523
Base-Backbone interact. energy: -0.138
local terms energy: -56.886491
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -10.573
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: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -81.524403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.524403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.524403 (E_RNA)
where:
Base-Base interactions energy: -31.621
where: short stacking energy: -31.553
Base-Backbone interact. energy: -0.032
local terms energy: -49.871270
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -82.465109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.465109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.465109 (E_RNA)
where:
Base-Base interactions energy: -30.101
where: short stacking energy: -29.592
Base-Backbone interact. energy: -0.095
local terms energy: -52.268702
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -10.956
flat angles P-C4'-P energy: -7.915
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: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -203.970240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.970240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.970240 (E_RNA)
where:
Base-Base interactions energy: -128.876
where: short stacking energy: -62.793
Base-Backbone interact. energy: -0.052
local terms energy: -75.042345
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -188.874320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.874320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.874320 (E_RNA)
where:
Base-Base interactions energy: -121.632
where: short stacking energy: -57.711
Base-Backbone interact. energy: -0.032
local terms energy: -67.211036
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -13.977
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: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -183.180464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.180464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.180464 (E_RNA)
where:
Base-Base interactions energy: -118.492
where: short stacking energy: -45.782
Base-Backbone interact. energy: -0.293
local terms energy: -64.395578
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.170
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -13.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -184.305052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.305052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.305052 (E_RNA)
where:
Base-Base interactions energy: -123.717
where: short stacking energy: -73.073
Base-Backbone interact. energy: -0.002
local terms energy: -60.586769
where:
bonds (distance) C4'-P energy: -8.709
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -9.841
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: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -167.663697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.663697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.663697 (E_RNA)
where:
Base-Base interactions energy: -103.520
where: short stacking energy: -43.256
Base-Backbone interact. energy: -0.147
local terms energy: -63.997053
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -13.821
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: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -140.066022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.066022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.066022 (E_RNA)
where:
Base-Base interactions energy: -81.866
where: short stacking energy: -46.151
Base-Backbone interact. energy: -0.048
local terms energy: -58.151584
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -7.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -90.251110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.251110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.251110 (E_RNA)
where:
Base-Base interactions energy: -36.450
where: short stacking energy: -36.450
Base-Backbone interact. energy: -0.102
local terms energy: -53.698184
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -80.439038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.439038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.439038 (E_RNA)
where:
Base-Base interactions energy: -27.070
where: short stacking energy: -25.573
Base-Backbone interact. energy: -0.055
local terms energy: -53.313519
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -3.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -82.355780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.355780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.355780 (E_RNA)
where:
Base-Base interactions energy: -25.962
where: short stacking energy: -17.186
Base-Backbone interact. energy: -0.223
local terms energy: -56.171164
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -4.231
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: 229
Temperature: 1.350000
Total energy: -92.772267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.772267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.772267 (E_RNA)
where:
Base-Base interactions energy: -55.128
where: short stacking energy: -34.294
Base-Backbone interact. energy: -0.381
local terms energy: -37.263930
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: 2.293
tors. eta vs tors. theta energy: -6.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -209.062261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.062261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.062261 (E_RNA)
where:
Base-Base interactions energy: -131.340
where: short stacking energy: -64.470
Base-Backbone interact. energy: -0.051
local terms energy: -77.671918
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -17.704
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -19.640
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: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -176.645491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.645491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.645491 (E_RNA)
where:
Base-Base interactions energy: -111.471
where: short stacking energy: -58.897
Base-Backbone interact. energy: -0.081
local terms energy: -65.093497
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -6.563
tors. eta vs tors. theta energy: -13.106
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: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -192.746941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.746941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.746941 (E_RNA)
where:
Base-Base interactions energy: -123.095
where: short stacking energy: -61.164
Base-Backbone interact. energy: -0.001
local terms energy: -69.650977
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -173.196631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.196631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.196631 (E_RNA)
where:
Base-Base interactions energy: -107.483
where: short stacking energy: -50.910
Base-Backbone interact. energy: -0.081
local terms energy: -65.632948
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -175.863961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.863961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.863961 (E_RNA)
where:
Base-Base interactions energy: -110.872
where: short stacking energy: -50.382
Base-Backbone interact. energy: 2.002
local terms energy: -66.993840
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -168.852141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.852141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.852141 (E_RNA)
where:
Base-Base interactions energy: -100.350
where: short stacking energy: -46.808
Base-Backbone interact. energy: -0.020
local terms energy: -68.482799
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -8.356
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: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -93.079842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.079842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.079842 (E_RNA)
where:
Base-Base interactions energy: -41.221
where: short stacking energy: -25.315
Base-Backbone interact. energy: -0.920
local terms energy: -50.938374
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -7.174
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: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -87.568965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.568965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.568965 (E_RNA)
where:
Base-Base interactions energy: -28.915
where: short stacking energy: -27.960
Base-Backbone interact. energy: -0.078
local terms energy: -58.576183
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: 1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -78.422207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.422207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.422207 (E_RNA)
where:
Base-Base interactions energy: -27.883
where: short stacking energy: -17.024
Base-Backbone interact. energy: -0.167
local terms energy: -50.371759
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -81.580027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.580027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.580027 (E_RNA)
where:
Base-Base interactions energy: -29.558
where: short stacking energy: -29.558
Base-Backbone interact. energy: -0.128
local terms energy: -51.893789
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: -6.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -207.075007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.075007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.075007 (E_RNA)
where:
Base-Base interactions energy: -132.624
where: short stacking energy: -62.615
Base-Backbone interact. energy: -0.629
local terms energy: -73.821826
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -17.829
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: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -210.601032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.601032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.601032 (E_RNA)
where:
Base-Base interactions energy: -138.519
where: short stacking energy: -70.565
Base-Backbone interact. energy: -0.551
local terms energy: -71.531008
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -17.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -194.104388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.104388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.104388 (E_RNA)
where:
Base-Base interactions energy: -128.345
where: short stacking energy: -48.241
Base-Backbone interact. energy: -0.135
local terms energy: -65.624361
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -182.678675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.678675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.678675 (E_RNA)
where:
Base-Base interactions energy: -115.068
where: short stacking energy: -56.651
Base-Backbone interact. energy: -0.578
local terms energy: -67.032191
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -8.441
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -17.381
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: 231
Temperature: 1.100000
Total energy: -168.779576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.779576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.779576 (E_RNA)
where:
Base-Base interactions energy: -97.161
where: short stacking energy: -49.800
Base-Backbone interact. energy: -0.116
local terms energy: -71.502853
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -91.927278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.927278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.927278 (E_RNA)
where:
Base-Base interactions energy: -36.733
where: short stacking energy: -35.222
Base-Backbone interact. energy: -0.088
local terms energy: -55.105920
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -7.097
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: 7, replica: 2
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -161.100355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.100355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.100355 (E_RNA)
where:
Base-Base interactions energy: -103.902
where: short stacking energy: -45.250
Base-Backbone interact. energy: -0.185
local terms energy: -57.013402
where:
bonds (distance) C4'-P energy: -7.281
bonds (distance) P-C4' energy: -10.460
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -13.248
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: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -92.357822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.357822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.357822 (E_RNA)
where:
Base-Base interactions energy: -39.051
where: short stacking energy: -36.819
Base-Backbone interact. energy: -1.608
local terms energy: -51.698792
where:
bonds (distance) C4'-P energy: -6.540
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -9.470
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: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -84.961349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.961349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.961349 (E_RNA)
where:
Base-Base interactions energy: -37.164
where: short stacking energy: -24.225
Base-Backbone interact. energy: -0.038
local terms energy: -47.759102
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -7.880
flat angles P-C4'-P energy: -5.430
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: 231
Temperature: 1.350000
Total energy: -78.414910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.414910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.414910 (E_RNA)
where:
Base-Base interactions energy: -34.865
where: short stacking energy: -34.440
Base-Backbone interact. energy: -0.003
local terms energy: -43.546179
where:
bonds (distance) C4'-P energy: -8.137
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -201.772643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.772643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.772643 (E_RNA)
where:
Base-Base interactions energy: -125.348
where: short stacking energy: -61.234
Base-Backbone interact. energy: -0.461
local terms energy: -75.964088
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -15.817
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: 3
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -201.563502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.563502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.563502 (E_RNA)
where:
Base-Base interactions energy: -124.837
where: short stacking energy: -64.066
Base-Backbone interact. energy: -0.003
local terms energy: -76.723310
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -17.667
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: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -168.475608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.475608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.475608 (E_RNA)
where:
Base-Base interactions energy: -111.566
where: short stacking energy: -55.820
Base-Backbone interact. energy: -0.113
local terms energy: -56.796197
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -9.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -175.244635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.244635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.244635 (E_RNA)
where:
Base-Base interactions energy: -112.849
where: short stacking energy: -53.674
Base-Backbone interact. energy: -0.335
local terms energy: -62.060347
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -8.158
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: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -164.486997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.486997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.486997 (E_RNA)
where:
Base-Base interactions energy: -95.970
where: short stacking energy: -38.502
Base-Backbone interact. energy: -0.060
local terms energy: -68.456605
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -9.211
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: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -83.629828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.629828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.629828 (E_RNA)
where:
Base-Base interactions energy: -32.411
where: short stacking energy: -30.740
Base-Backbone interact. energy: -0.797
local terms energy: -50.421811
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.014
flat angles P-C4'-P energy: -8.763
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: 7, replica: 2
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -164.390138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.390138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.390138 (E_RNA)
where:
Base-Base interactions energy: -108.587
where: short stacking energy: -54.699
Base-Backbone interact. energy: -0.039
local terms energy: -55.763873
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -7.245
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: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -79.334216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.334216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.334216 (E_RNA)
where:
Base-Base interactions energy: -33.558
where: short stacking energy: -33.558
Base-Backbone interact. energy: 0.447
local terms energy: -46.222877
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -0.611
tors. eta vs tors. theta energy: -8.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -77.365722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.365722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.365722 (E_RNA)
where:
Base-Base interactions energy: -28.117
where: short stacking energy: -17.562
Base-Backbone interact. energy: 2.163
local terms energy: -51.412017
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -4.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -70.055439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.055439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.055439 (E_RNA)
where:
Base-Base interactions energy: -27.788
where: short stacking energy: -27.579
Base-Backbone interact. energy: -0.150
local terms energy: -42.117486
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -8.085
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -3.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -208.763725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.763725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.763725 (E_RNA)
where:
Base-Base interactions energy: -134.293
where: short stacking energy: -53.772
Base-Backbone interact. energy: -0.665
local terms energy: -73.805117
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -13.967
tors. eta vs tors. theta energy: -17.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -188.822929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.822929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.822929 (E_RNA)
where:
Base-Base interactions energy: -119.230
where: short stacking energy: -59.622
Base-Backbone interact. energy: 0.264
local terms energy: -69.857007
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -15.623
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: 3, replica: 3
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -194.771407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.771407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.771407 (E_RNA)
where:
Base-Base interactions energy: -124.521
where: short stacking energy: -65.565
Base-Backbone interact. energy: -0.055
local terms energy: -70.195180
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -9.584
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: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -170.868452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.868452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.868452 (E_RNA)
where:
Base-Base interactions energy: -112.975
where: short stacking energy: -45.884
Base-Backbone interact. energy: 0.442
local terms energy: -58.335739
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -9.441
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -11.203
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: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -174.117761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.117761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.117761 (E_RNA)
where:
Base-Base interactions energy: -119.204
where: short stacking energy: -57.572
Base-Backbone interact. energy: 0.716
local terms energy: -55.630597
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -8.677
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -166.855103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.855103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.855103 (E_RNA)
where:
Base-Base interactions energy: -99.058
where: short stacking energy: -49.298
Base-Backbone interact. energy: -2.140
local terms energy: -65.657541
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -13.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -102.245816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.245816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.245816 (E_RNA)
where:
Base-Base interactions energy: -48.433
where: short stacking energy: -40.829
Base-Backbone interact. energy: -0.280
local terms energy: -53.532203
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -8.484
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: 233
Temperature: 1.250000
Total energy: -84.243659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.243659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.243659 (E_RNA)
where:
Base-Base interactions energy: -32.208
where: short stacking energy: -27.394
Base-Backbone interact. energy: -0.041
local terms energy: -51.995297
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -5.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -103.605713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.605713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.605713 (E_RNA)
where:
Base-Base interactions energy: -51.348
where: short stacking energy: -23.270
Base-Backbone interact. energy: -0.663
local terms energy: -51.594424
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -74.897018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.897018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.897018 (E_RNA)
where:
Base-Base interactions energy: -27.760
where: short stacking energy: -26.586
Base-Backbone interact. energy: 0.059
local terms energy: -47.196406
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -10.667
flat angles C4'-P-C4' energy: -11.362
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -205.016716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.016716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.016716 (E_RNA)
where:
Base-Base interactions energy: -126.998
where: short stacking energy: -57.808
Base-Backbone interact. energy: -0.101
local terms energy: -77.917098
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -19.447
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: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -194.032797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.032797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.032797 (E_RNA)
where:
Base-Base interactions energy: -119.277
where: short stacking energy: -57.126
Base-Backbone interact. energy: -0.169
local terms energy: -74.587174
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -19.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -178.185717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.185717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.185717 (E_RNA)
where:
Base-Base interactions energy: -110.063
where: short stacking energy: -43.059
Base-Backbone interact. energy: -0.162
local terms energy: -67.961150
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -9.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -178.831257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.831257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.831257 (E_RNA)
where:
Base-Base interactions energy: -112.558
where: short stacking energy: -52.059
Base-Backbone interact. energy: -0.929
local terms energy: -65.344466
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -9.568
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -168.529374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.529374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.529374 (E_RNA)
where:
Base-Base interactions energy: -105.150
where: short stacking energy: -49.152
Base-Backbone interact. energy: -0.170
local terms energy: -63.209452
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -13.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -157.503000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.503000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.503000 (E_RNA)
where:
Base-Base interactions energy: -94.382
where: short stacking energy: -42.551
Base-Backbone interact. energy: -0.157
local terms energy: -62.964440
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -13.362
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -12.827
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: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -91.896350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.896350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.896350 (E_RNA)
where:
Base-Base interactions energy: -39.148
where: short stacking energy: -41.395
Base-Backbone interact. energy: 0.331
local terms energy: -53.079477
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -10.408
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -6.720
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: 234
Temperature: 1.250000
Total energy: -76.453572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.453572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.453572 (E_RNA)
where:
Base-Base interactions energy: -38.039
where: short stacking energy: -22.790
Base-Backbone interact. energy: -0.342
local terms energy: -38.072805
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -1.497
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: 9, replica: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -97.201301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.201301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.201301 (E_RNA)
where:
Base-Base interactions energy: -35.631
where: short stacking energy: -35.631
Base-Backbone interact. energy: -0.020
local terms energy: -61.549919
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -9.762
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -11.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -71.709791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.709791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.709791 (E_RNA)
where:
Base-Base interactions energy: -20.787
where: short stacking energy: -20.346
Base-Backbone interact. energy: -0.203
local terms energy: -50.719669
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -7.930
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -207.527585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.527585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.527585 (E_RNA)
where:
Base-Base interactions energy: -130.428
where: short stacking energy: -69.455
Base-Backbone interact. energy: -0.036
local terms energy: -77.063530
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -187.903565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.903565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.903565 (E_RNA)
where:
Base-Base interactions energy: -122.098
where: short stacking energy: -56.118
Base-Backbone interact. energy: -0.002
local terms energy: -65.803770
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -13.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -191.913485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.913485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.913485 (E_RNA)
where:
Base-Base interactions energy: -122.298
where: short stacking energy: -52.735
Base-Backbone interact. energy: -0.201
local terms energy: -69.413770
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -13.680
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: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -176.789739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.789739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.789739 (E_RNA)
where:
Base-Base interactions energy: -112.596
where: short stacking energy: -51.431
Base-Backbone interact. energy: -0.027
local terms energy: -64.166841
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -170.788186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.788186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.788186 (E_RNA)
where:
Base-Base interactions energy: -103.896
where: short stacking energy: -49.728
Base-Backbone interact. energy: -0.073
local terms energy: -66.819552
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -10.425
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: 9
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -89.283100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.283100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.283100 (E_RNA)
where:
Base-Base interactions energy: -37.110
where: short stacking energy: -22.065
Base-Backbone interact. energy: 0.700
local terms energy: -52.873457
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -138.946153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.946153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.946153 (E_RNA)
where:
Base-Base interactions energy: -76.186
where: short stacking energy: -38.923
Base-Backbone interact. energy: 0.382
local terms energy: -63.142805
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -97.521334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.521334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.521334 (E_RNA)
where:
Base-Base interactions energy: -50.494
where: short stacking energy: -31.020
Base-Backbone interact. energy: -0.375
local terms energy: -46.652056
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -83.973745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.973745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.973745 (E_RNA)
where:
Base-Base interactions energy: -31.024
where: short stacking energy: -30.993
Base-Backbone interact. energy: -0.152
local terms energy: -52.797169
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -81.360462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.360462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.360462 (E_RNA)
where:
Base-Base interactions energy: -23.378
where: short stacking energy: -18.020
Base-Backbone interact. energy: -0.059
local terms energy: -57.923990
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -8.978
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: 5
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -204.260420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.260420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.260420 (E_RNA)
where:
Base-Base interactions energy: -131.522
where: short stacking energy: -63.180
Base-Backbone interact. energy: -0.432
local terms energy: -72.306565
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -179.268703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.268703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.268703 (E_RNA)
where:
Base-Base interactions energy: -107.490
where: short stacking energy: -51.342
Base-Backbone interact. energy: -0.288
local terms energy: -71.491178
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -188.931932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.931932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.931932 (E_RNA)
where:
Base-Base interactions energy: -116.045
where: short stacking energy: -59.830
Base-Backbone interact. energy: -0.145
local terms energy: -72.742135
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -14.391
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -16.648
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: 236
Temperature: 1.050000
Total energy: -183.738338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.738338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.738338 (E_RNA)
where:
Base-Base interactions energy: -119.827
where: short stacking energy: -57.376
Base-Backbone interact. energy: -0.577
local terms energy: -63.334347
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -168.185926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.185926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.185926 (E_RNA)
where:
Base-Base interactions energy: -104.735
where: short stacking energy: -48.202
Base-Backbone interact. energy: -0.268
local terms energy: -63.183105
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -15.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -95.036744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.036744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.036744 (E_RNA)
where:
Base-Base interactions energy: -52.109
where: short stacking energy: -32.153
Base-Backbone interact. energy: -0.041
local terms energy: -42.887126
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -10.649
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -2.594
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: 2
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -133.231662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.231662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.231662 (E_RNA)
where:
Base-Base interactions energy: -68.617
where: short stacking energy: -44.774
Base-Backbone interact. energy: -0.001
local terms energy: -64.614374
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -11.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -87.872111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.872111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.872111 (E_RNA)
where:
Base-Base interactions energy: -47.159
where: short stacking energy: -20.371
Base-Backbone interact. energy: -0.100
local terms energy: -40.612690
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: 2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -77.920411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.920411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.920411 (E_RNA)
where:
Base-Base interactions energy: -31.887
where: short stacking energy: -31.887
Base-Backbone interact. energy: -0.209
local terms energy: -45.825265
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -2.564
tors. eta vs tors. theta energy: -6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -72.105097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.105097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.105097 (E_RNA)
where:
Base-Base interactions energy: -21.495
where: short stacking energy: -18.476
Base-Backbone interact. energy: 1.436
local terms energy: -52.045828
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -9.175
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: 1, replica: 5
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -205.942236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.942236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.942236 (E_RNA)
where:
Base-Base interactions energy: -137.396
where: short stacking energy: -60.909
Base-Backbone interact. energy: -0.565
local terms energy: -67.981644
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -7.998
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: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -187.524875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.524875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.524875 (E_RNA)
where:
Base-Base interactions energy: -119.222
where: short stacking energy: -53.597
Base-Backbone interact. energy: 1.016
local terms energy: -69.319200
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -182.141932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.141932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.141932 (E_RNA)
where:
Base-Base interactions energy: -110.533
where: short stacking energy: -53.679
Base-Backbone interact. energy: -0.103
local terms energy: -71.506410
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -186.095820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.095820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.095820 (E_RNA)
where:
Base-Base interactions energy: -114.305
where: short stacking energy: -57.387
Base-Backbone interact. energy: -0.066
local terms energy: -71.725458
where:
bonds (distance) C4'-P energy: -10.893
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -19.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -177.904411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.904411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.904411 (E_RNA)
where:
Base-Base interactions energy: -109.235
where: short stacking energy: -55.074
Base-Backbone interact. energy: -0.077
local terms energy: -68.592229
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -127.134530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.134530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.134530 (E_RNA)
where:
Base-Base interactions energy: -72.571
where: short stacking energy: -40.646
Base-Backbone interact. energy: -0.061
local terms energy: -54.502454
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -120.128089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.128089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.128089 (E_RNA)
where:
Base-Base interactions energy: -66.219
where: short stacking energy: -24.893
Base-Backbone interact. energy: -0.012
local terms energy: -53.897186
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -10.174
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -9.776
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: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -89.395366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.395366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.395366 (E_RNA)
where:
Base-Base interactions energy: -34.933
where: short stacking energy: -20.834
Base-Backbone interact. energy: -0.772
local terms energy: -53.690805
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -5.135
tors. eta vs tors. theta energy: -0.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -89.878857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.878857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.878857 (E_RNA)
where:
Base-Base interactions energy: -34.057
where: short stacking energy: -25.006
Base-Backbone interact. energy: -0.030
local terms energy: -55.791500
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -7.109
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -8.217
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: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -74.496864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.496864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.496864 (E_RNA)
where:
Base-Base interactions energy: -19.496
where: short stacking energy: -18.516
Base-Backbone interact. energy: -0.480
local terms energy: -54.520991
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -3.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -201.264837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.264837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.264837 (E_RNA)
where:
Base-Base interactions energy: -125.594
where: short stacking energy: -58.618
Base-Backbone interact. energy: -0.288
local terms energy: -75.383400
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -186.465322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.465322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.465322 (E_RNA)
where:
Base-Base interactions energy: -114.424
where: short stacking energy: -60.256
Base-Backbone interact. energy: -0.008
local terms energy: -72.033673
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -15.624
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: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -189.237284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.237284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.237284 (E_RNA)
where:
Base-Base interactions energy: -116.055
where: short stacking energy: -59.769
Base-Backbone interact. energy: -0.656
local terms energy: -72.526371
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -15.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -177.069514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.069514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.069514 (E_RNA)
where:
Base-Base interactions energy: -111.860
where: short stacking energy: -48.841
Base-Backbone interact. energy: -0.032
local terms energy: -65.178216
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -7.809
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: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -165.162222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.162222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.162222 (E_RNA)
where:
Base-Base interactions energy: -105.521
where: short stacking energy: -52.999
Base-Backbone interact. energy: -0.016
local terms energy: -59.625593
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -12.810
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: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -154.480788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.480788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.480788 (E_RNA)
where:
Base-Base interactions energy: -88.947
where: short stacking energy: -52.585
Base-Backbone interact. energy: -0.165
local terms energy: -65.368197
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -7.863
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: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -139.109249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.109249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.109249 (E_RNA)
where:
Base-Base interactions energy: -79.586
where: short stacking energy: -38.558
Base-Backbone interact. energy: -0.947
local terms energy: -58.575684
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -7.304
tors. eta vs tors. theta energy: -8.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -111.348753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.348753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.348753 (E_RNA)
where:
Base-Base interactions energy: -55.281
where: short stacking energy: -31.861
Base-Backbone interact. energy: -0.057
local terms energy: -56.010484
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -10.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -91.119379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.119379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.119379 (E_RNA)
where:
Base-Base interactions energy: -40.795
where: short stacking energy: -31.354
Base-Backbone interact. energy: -1.047
local terms energy: -49.276438
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -6.493
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -7.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -81.715630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.715630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.715630 (E_RNA)
where:
Base-Base interactions energy: -34.647
where: short stacking energy: -22.546
Base-Backbone interact. energy: 0.489
local terms energy: -47.558045
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -12.977
flat angles C4'-P-C4' energy: -8.498
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -206.483669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.483669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.483669 (E_RNA)
where:
Base-Base interactions energy: -130.243
where: short stacking energy: -61.236
Base-Backbone interact. energy: -0.736
local terms energy: -75.504007
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -14.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -195.336296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.336296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.336296 (E_RNA)
where:
Base-Base interactions energy: -113.041
where: short stacking energy: -63.163
Base-Backbone interact. energy: -0.277
local terms energy: -82.018435
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -13.015
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: 3, replica: 10
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -187.616934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.616934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.616934 (E_RNA)
where:
Base-Base interactions energy: -116.583
where: short stacking energy: -61.585
Base-Backbone interact. energy: -0.090
local terms energy: -70.943467
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -176.811596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.811596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.811596 (E_RNA)
where:
Base-Base interactions energy: -111.106
where: short stacking energy: -52.576
Base-Backbone interact. energy: -0.003
local terms energy: -65.702501
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -178.477540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.477540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.477540 (E_RNA)
where:
Base-Base interactions energy: -108.828
where: short stacking energy: -53.983
Base-Backbone interact. energy: -0.006
local terms energy: -69.642618
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -144.348841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.348841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.348841 (E_RNA)
where:
Base-Base interactions energy: -82.067
where: short stacking energy: -37.410
Base-Backbone interact. energy: -0.109
local terms energy: -62.172171
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -9.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -145.273073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.273073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.273073 (E_RNA)
where:
Base-Base interactions energy: -94.973
where: short stacking energy: -39.894
Base-Backbone interact. energy: -0.102
local terms energy: -50.198483
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -3.592
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: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -82.158034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.158034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.158034 (E_RNA)
where:
Base-Base interactions energy: -22.703
where: short stacking energy: -19.217
Base-Backbone interact. energy: -0.019
local terms energy: -59.435706
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -4.351
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: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -101.607161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.607161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.607161 (E_RNA)
where:
Base-Base interactions energy: -54.660
where: short stacking energy: -18.319
Base-Backbone interact. energy: -0.173
local terms energy: -46.773867
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: 1.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -78.348771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.348771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.348771 (E_RNA)
where:
Base-Base interactions energy: -31.446
where: short stacking energy: -24.622
Base-Backbone interact. energy: -0.342
local terms energy: -46.560636
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -3.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -209.262554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.262554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.262554 (E_RNA)
where:
Base-Base interactions energy: -126.962
where: short stacking energy: -63.452
Base-Backbone interact. energy: -0.067
local terms energy: -82.232757
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -19.656
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: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -199.855621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.855621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.855621 (E_RNA)
where:
Base-Base interactions energy: -128.660
where: short stacking energy: -57.899
Base-Backbone interact. energy: 0.153
local terms energy: -71.348168
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -15.090
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: 3, replica: 3
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -192.049772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.049772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.049772 (E_RNA)
where:
Base-Base interactions energy: -117.638
where: short stacking energy: -51.673
Base-Backbone interact. energy: -1.775
local terms energy: -72.636861
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -9.642
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: 4, replica: 10
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -186.101548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.101548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.101548 (E_RNA)
where:
Base-Base interactions energy: -112.509
where: short stacking energy: -55.866
Base-Backbone interact. energy: -0.254
local terms energy: -73.338447
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -16.676
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: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -191.836895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.836895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.836895 (E_RNA)
where:
Base-Base interactions energy: -117.810
where: short stacking energy: -68.732
Base-Backbone interact. energy: 0.390
local terms energy: -74.416107
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -119.522016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.522016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.522016 (E_RNA)
where:
Base-Base interactions energy: -61.756
where: short stacking energy: -34.875
Base-Backbone interact. energy: -0.175
local terms energy: -57.590203
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -10.554
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -8.643
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: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -101.412823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.412823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.412823 (E_RNA)
where:
Base-Base interactions energy: -42.139
where: short stacking energy: -39.100
Base-Backbone interact. energy: -0.086
local terms energy: -59.187509
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -135.294027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.294027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.294027 (E_RNA)
where:
Base-Base interactions energy: -76.579
where: short stacking energy: -36.217
Base-Backbone interact. energy: -0.624
local terms energy: -58.091473
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -74.457865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.457865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.457865 (E_RNA)
where:
Base-Base interactions energy: -21.120
where: short stacking energy: -21.120
Base-Backbone interact. energy: -0.083
local terms energy: -53.254643
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: 2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -75.803743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.803743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.803743 (E_RNA)
where:
Base-Base interactions energy: -20.278
where: short stacking energy: -20.278
Base-Backbone interact. energy: -0.087
local terms energy: -55.438355
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -0.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -202.999424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.999424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.999424 (E_RNA)
where:
Base-Base interactions energy: -127.924
where: short stacking energy: -61.419
Base-Backbone interact. energy: 0.059
local terms energy: -75.134003
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -198.150396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.150396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.150396 (E_RNA)
where:
Base-Base interactions energy: -127.620
where: short stacking energy: -61.209
Base-Backbone interact. energy: -0.001
local terms energy: -70.529726
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -14.100
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: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -191.131075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.131075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.131075 (E_RNA)
where:
Base-Base interactions energy: -113.931
where: short stacking energy: -60.170
Base-Backbone interact. energy: 1.032
local terms energy: -78.232144
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -10.309
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: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -189.605582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.605582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.605582 (E_RNA)
where:
Base-Base interactions energy: -124.504
where: short stacking energy: -64.320
Base-Backbone interact. energy: -0.072
local terms energy: -65.029513
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -15.396
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: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -163.110086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.110086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.110086 (E_RNA)
where:
Base-Base interactions energy: -102.170
where: short stacking energy: -45.620
Base-Backbone interact. energy: -0.302
local terms energy: -60.638168
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -3.820
tors. eta vs tors. theta energy: -13.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -90.009637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.009637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.009637 (E_RNA)
where:
Base-Base interactions energy: -38.040
where: short stacking energy: -31.434
Base-Backbone interact. energy: -1.375
local terms energy: -50.594952
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -11.932
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -97.165636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.165636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.165636 (E_RNA)
where:
Base-Base interactions energy: -34.370
where: short stacking energy: -34.370
Base-Backbone interact. energy: -0.353
local terms energy: -62.443223
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -128.090921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.090921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.090921 (E_RNA)
where:
Base-Base interactions energy: -75.522
where: short stacking energy: -31.741
Base-Backbone interact. energy: -0.115
local terms energy: -52.453701
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -2.702
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: 9, replica: 7
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -77.461599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.461599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.461599 (E_RNA)
where:
Base-Base interactions energy: -29.279
where: short stacking energy: -27.671
Base-Backbone interact. energy: -0.308
local terms energy: -47.875267
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -2.984
tors. eta vs tors. theta energy: -2.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -73.559543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.559543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.559543 (E_RNA)
where:
Base-Base interactions energy: -24.366
where: short stacking energy: -13.040
Base-Backbone interact. energy: 0.491
local terms energy: -49.684254
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -8.787
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -204.095894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.095894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.095894 (E_RNA)
where:
Base-Base interactions energy: -130.698
where: short stacking energy: -61.331
Base-Backbone interact. energy: -0.209
local terms energy: -73.188739
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -210.462056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.462056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.462056 (E_RNA)
where:
Base-Base interactions energy: -144.458
where: short stacking energy: -60.110
Base-Backbone interact. energy: -0.042
local terms energy: -65.962610
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -11.629
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: 3, replica: 5
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -180.974927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.974927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.974927 (E_RNA)
where:
Base-Base interactions energy: -110.209
where: short stacking energy: -51.935
Base-Backbone interact. energy: 0.725
local terms energy: -71.490316
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -14.154
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: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -176.084153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.084153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.084153 (E_RNA)
where:
Base-Base interactions energy: -113.895
where: short stacking energy: -52.899
Base-Backbone interact. energy: -0.020
local terms energy: -62.169824
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -13.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -170.006294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.006294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.006294 (E_RNA)
where:
Base-Base interactions energy: -108.938
where: short stacking energy: -47.795
Base-Backbone interact. energy: -0.010
local terms energy: -61.058924
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -117.134807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.134807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.134807 (E_RNA)
where:
Base-Base interactions energy: -64.584
where: short stacking energy: -48.104
Base-Backbone interact. energy: -0.076
local terms energy: -52.474355
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -12.483
flat angles P-C4'-P energy: -3.976
tors. eta vs tors. theta energy: -9.013
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: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -83.446249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.446249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.446249 (E_RNA)
where:
Base-Base interactions energy: -31.052
where: short stacking energy: -21.250
Base-Backbone interact. energy: 3.084
local terms energy: -55.477861
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -12.745
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -83.535760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.535760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.535760 (E_RNA)
where:
Base-Base interactions energy: -33.135
where: short stacking energy: -32.617
Base-Backbone interact. energy: 0.019
local terms energy: -50.419364
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -11.793
flat angles P-C4'-P energy: -3.946
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -76.260333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.260333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.260333 (E_RNA)
where:
Base-Base interactions energy: -27.880
where: short stacking energy: -25.947
Base-Backbone interact. energy: -0.989
local terms energy: -47.390726
where:
bonds (distance) C4'-P energy: -7.063
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -11.071
tors. eta vs tors. theta energy: -0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -76.618668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.618668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.618668 (E_RNA)
where:
Base-Base interactions energy: -29.205
where: short stacking energy: -17.955
Base-Backbone interact. energy: -0.045
local terms energy: -47.369267
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -0.406
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: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -207.884281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.884281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.884281 (E_RNA)
where:
Base-Base interactions energy: -135.075
where: short stacking energy: -55.258
Base-Backbone interact. energy: -0.003
local terms energy: -72.805459
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -8.264
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: 3
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -208.671416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.671416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.671416 (E_RNA)
where:
Base-Base interactions energy: -137.550
where: short stacking energy: -47.406
Base-Backbone interact. energy: -0.103
local terms energy: -71.018326
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -9.142
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: 3, replica: 5
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -190.351719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.351719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.351719 (E_RNA)
where:
Base-Base interactions energy: -125.961
where: short stacking energy: -57.877
Base-Backbone interact. energy: -0.024
local terms energy: -64.366586
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -5.972
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: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -181.784963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.784963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.784963 (E_RNA)
where:
Base-Base interactions energy: -116.160
where: short stacking energy: -53.476
Base-Backbone interact. energy: -0.007
local terms energy: -65.618476
where:
bonds (distance) C4'-P energy: -10.924
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -148.858477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.858477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.858477 (E_RNA)
where:
Base-Base interactions energy: -87.605
where: short stacking energy: -41.798
Base-Backbone interact. energy: -0.325
local terms energy: -60.928133
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -9.139
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: 6, replica: 9
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -116.350174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.350174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.350174 (E_RNA)
where:
Base-Base interactions energy: -49.676
where: short stacking energy: -34.123
Base-Backbone interact. energy: -0.530
local terms energy: -66.144232
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.364
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: 7, replica: 4
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -98.384723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.384723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.384723 (E_RNA)
where:
Base-Base interactions energy: -39.114
where: short stacking energy: -35.495
Base-Backbone interact. energy: -0.004
local terms energy: -59.266851
where:
bonds (distance) C4'-P energy: -13.248
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -7.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -85.346058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.346058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.346058 (E_RNA)
where:
Base-Base interactions energy: -37.216
where: short stacking energy: -27.083
Base-Backbone interact. energy: -0.077
local terms energy: -48.053006
where:
bonds (distance) C4'-P energy: -8.737
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -0.109
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: 9, replica: 2
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -76.211782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.211782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.211782 (E_RNA)
where:
Base-Base interactions energy: -30.921
where: short stacking energy: -30.921
Base-Backbone interact. energy: -0.204
local terms energy: -45.086243
where:
bonds (distance) C4'-P energy: -8.245
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -6.074
tors. eta vs tors. theta energy: -0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -70.177398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.177398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.177398 (E_RNA)
where:
Base-Base interactions energy: -18.284
where: short stacking energy: -14.780
Base-Backbone interact. energy: -0.192
local terms energy: -51.701114
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -12.386
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: 0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -204.060074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.060074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.060074 (E_RNA)
where:
Base-Base interactions energy: -135.431
where: short stacking energy: -57.916
Base-Backbone interact. energy: -0.008
local terms energy: -68.621219
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -11.504
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: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -197.996262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.996262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.996262 (E_RNA)
where:
Base-Base interactions energy: -124.981
where: short stacking energy: -55.065
Base-Backbone interact. energy: -0.156
local terms energy: -72.859213
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -182.581541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.581541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.581541 (E_RNA)
where:
Base-Base interactions energy: -109.290
where: short stacking energy: -64.828
Base-Backbone interact. energy: -0.219
local terms energy: -73.071800
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -190.659206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.659206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.659206 (E_RNA)
where:
Base-Base interactions energy: -122.391
where: short stacking energy: -53.115
Base-Backbone interact. energy: 1.266
local terms energy: -69.533527
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -13.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -159.212942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.212942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.212942 (E_RNA)
where:
Base-Base interactions energy: -103.075
where: short stacking energy: -34.017
Base-Backbone interact. energy: -0.718
local terms energy: -55.419521
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -91.896615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.896615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.896615 (E_RNA)
where:
Base-Base interactions energy: -36.263
where: short stacking energy: -36.263
Base-Backbone interact. energy: -0.072
local terms energy: -55.561999
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -9.854
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: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -99.837041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.837041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.837041 (E_RNA)
where:
Base-Base interactions energy: -43.184
where: short stacking energy: -27.158
Base-Backbone interact. energy: -0.085
local terms energy: -56.567647
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -4.956
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: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -78.896557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.896557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.896557 (E_RNA)
where:
Base-Base interactions energy: -30.321
where: short stacking energy: -19.523
Base-Backbone interact. energy: -0.107
local terms energy: -48.469049
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: 0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -83.017061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.017061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.017061 (E_RNA)
where:
Base-Base interactions energy: -28.922
where: short stacking energy: -28.922
Base-Backbone interact. energy: -0.092
local terms energy: -54.002976
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -8.369
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: 2
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -78.172089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.172089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.172089 (E_RNA)
where:
Base-Base interactions energy: -28.336
where: short stacking energy: -28.336
Base-Backbone interact. energy: -0.060
local terms energy: -49.775658
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -8.642
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: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -201.457866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.457866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.457866 (E_RNA)
where:
Base-Base interactions energy: -136.685
where: short stacking energy: -50.344
Base-Backbone interact. energy: -0.035
local terms energy: -64.737838
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -12.031
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -13.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -193.879394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.879394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.879394 (E_RNA)
where:
Base-Base interactions energy: -118.062
where: short stacking energy: -58.903
Base-Backbone interact. energy: -1.087
local terms energy: -74.730078
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -18.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -188.732817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.732817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.732817 (E_RNA)
where:
Base-Base interactions energy: -121.919
where: short stacking energy: -53.202
Base-Backbone interact. energy: 1.842
local terms energy: -68.656312
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -168.412941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.412941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.412941 (E_RNA)
where:
Base-Base interactions energy: -100.286
where: short stacking energy: -46.607
Base-Backbone interact. energy: -0.034
local terms energy: -68.092328
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -10.317
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: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -144.349049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.349049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.349049 (E_RNA)
where:
Base-Base interactions energy: -89.755
where: short stacking energy: -38.578
Base-Backbone interact. energy: -0.053
local terms energy: -54.540774
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -90.189131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.189131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.189131 (E_RNA)
where:
Base-Base interactions energy: -31.194
where: short stacking energy: -22.752
Base-Backbone interact. energy: 0.647
local terms energy: -59.641810
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -11.284
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: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -97.532013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.532013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.532013 (E_RNA)
where:
Base-Base interactions energy: -55.864
where: short stacking energy: -36.827
Base-Backbone interact. energy: -0.023
local terms energy: -41.644554
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -9.945
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -0.657
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: 8, replica: 4
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -86.801170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.801170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.801170 (E_RNA)
where:
Base-Base interactions energy: -33.095
where: short stacking energy: -33.095
Base-Backbone interact. energy: -0.174
local terms energy: -53.531532
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -10.072
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -97.435342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.435342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.435342 (E_RNA)
where:
Base-Base interactions energy: -39.266
where: short stacking energy: -39.266
Base-Backbone interact. energy: -0.038
local terms energy: -58.131417
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -12.337
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -84.772648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.772648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.772648 (E_RNA)
where:
Base-Base interactions energy: -40.693
where: short stacking energy: -38.959
Base-Backbone interact. energy: 1.869
local terms energy: -45.949172
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -196.292731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.292731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.292731 (E_RNA)
where:
Base-Base interactions energy: -127.253
where: short stacking energy: -63.681
Base-Backbone interact. energy: -0.666
local terms energy: -68.373628
where:
bonds (distance) C4'-P energy: -14.072
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -16.646
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -197.194548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.194548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.194548 (E_RNA)
where:
Base-Base interactions energy: -130.160
where: short stacking energy: -58.048
Base-Backbone interact. energy: -0.129
local terms energy: -66.905487
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -183.009280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.009280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.009280 (E_RNA)
where:
Base-Base interactions energy: -111.169
where: short stacking energy: -40.114
Base-Backbone interact. energy: -0.185
local terms energy: -71.655428
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -12.471
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: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -174.602278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.602278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.602278 (E_RNA)
where:
Base-Base interactions energy: -113.286
where: short stacking energy: -54.838
Base-Backbone interact. energy: -0.294
local terms energy: -61.021761
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -11.442
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: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -170.049830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.049830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.049830 (E_RNA)
where:
Base-Base interactions energy: -105.878
where: short stacking energy: -43.347
Base-Backbone interact. energy: -1.363
local terms energy: -62.808305
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -97.170222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.170222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.170222 (E_RNA)
where:
Base-Base interactions energy: -35.376
where: short stacking energy: -27.621
Base-Backbone interact. energy: -0.168
local terms energy: -61.625854
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -8.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -84.243917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.243917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.243917 (E_RNA)
where:
Base-Base interactions energy: -43.239
where: short stacking energy: -24.053
Base-Backbone interact. energy: 1.039
local terms energy: -42.043239
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -86.722684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.722684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.722684 (E_RNA)
where:
Base-Base interactions energy: -35.154
where: short stacking energy: -34.345
Base-Backbone interact. energy: -0.036
local terms energy: -51.532068
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -7.835
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -6.592
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: 9, replica: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -78.463761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.463761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.463761 (E_RNA)
where:
Base-Base interactions energy: -25.684
where: short stacking energy: -22.986
Base-Backbone interact. energy: -0.228
local terms energy: -52.552153
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -10.077
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -0.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -72.305400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.305400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.305400 (E_RNA)
where:
Base-Base interactions energy: -29.177
where: short stacking energy: -17.493
Base-Backbone interact. energy: 0.433
local terms energy: -43.561788
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -9.431
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: 0.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -210.383669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.383669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.383669 (E_RNA)
where:
Base-Base interactions energy: -135.965
where: short stacking energy: -73.644
Base-Backbone interact. energy: -0.100
local terms energy: -74.318983
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -183.236860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.236860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.236860 (E_RNA)
where:
Base-Base interactions energy: -110.861
where: short stacking energy: -52.223
Base-Backbone interact. energy: -0.021
local terms energy: -72.354622
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -194.915983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.915983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.915983 (E_RNA)
where:
Base-Base interactions energy: -121.739
where: short stacking energy: -63.402
Base-Backbone interact. energy: 0.480
local terms energy: -73.656738
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -19.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -181.091855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.091855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.091855 (E_RNA)
where:
Base-Base interactions energy: -122.660
where: short stacking energy: -47.202
Base-Backbone interact. energy: -0.056
local terms energy: -58.375252
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -4.502
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: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -177.621372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.621372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.621372 (E_RNA)
where:
Base-Base interactions energy: -109.872
where: short stacking energy: -53.906
Base-Backbone interact. energy: 0.875
local terms energy: -68.624921
where:
bonds (distance) C4'-P energy: -8.563
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -109.211345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.211345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.211345 (E_RNA)
where:
Base-Base interactions energy: -56.508
where: short stacking energy: -35.744
Base-Backbone interact. energy: -1.837
local terms energy: -50.866405
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -9.287
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: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -89.487508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.487508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.487508 (E_RNA)
where:
Base-Base interactions energy: -41.605
where: short stacking energy: -27.630
Base-Backbone interact. energy: -0.252
local terms energy: -47.630176
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -1.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -83.095820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.095820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.095820 (E_RNA)
where:
Base-Base interactions energy: -27.694
where: short stacking energy: -27.694
Base-Backbone interact. energy: -0.051
local terms energy: -55.351388
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -7.054
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: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -82.136896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.136896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.136896 (E_RNA)
where:
Base-Base interactions energy: -32.844
where: short stacking energy: -27.758
Base-Backbone interact. energy: 1.100
local terms energy: -50.392675
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: 0.988
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: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -85.148617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.148617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.148617 (E_RNA)
where:
Base-Base interactions energy: -31.607
where: short stacking energy: -26.638
Base-Backbone interact. energy: -0.174
local terms energy: -53.368288
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -4.509
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: 248
Temperature: 0.900000
Total energy: -218.422279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.422279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.422279 (E_RNA)
where:
Base-Base interactions energy: -141.133
where: short stacking energy: -64.083
Base-Backbone interact. energy: -0.135
local terms energy: -77.154061
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -9.016
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: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -197.581388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.581388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.581388 (E_RNA)
where:
Base-Base interactions energy: -122.611
where: short stacking energy: -69.644
Base-Backbone interact. energy: -0.312
local terms energy: -74.658749
where:
bonds (distance) C4'-P energy: -10.564
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -23.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -187.928482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.928482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.928482 (E_RNA)
where:
Base-Base interactions energy: -116.672
where: short stacking energy: -62.411
Base-Backbone interact. energy: -0.036
local terms energy: -71.221357
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -17.915
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: 248
Temperature: 1.050000
Total energy: -183.082166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.082166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.082166 (E_RNA)
where:
Base-Base interactions energy: -117.279
where: short stacking energy: -53.071
Base-Backbone interact. energy: -0.210
local terms energy: -65.592748
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -13.476
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: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -158.022369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.022369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.022369 (E_RNA)
where:
Base-Base interactions energy: -98.529
where: short stacking energy: -55.201
Base-Backbone interact. energy: -0.046
local terms energy: -59.446752
where:
bonds (distance) C4'-P energy: -7.007
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -10.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -87.032606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.032606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.032606 (E_RNA)
where:
Base-Base interactions energy: -35.036
where: short stacking energy: -32.909
Base-Backbone interact. energy: -0.186
local terms energy: -51.810352
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -10.732
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -3.880
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: 2
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -89.930792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.930792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.930792 (E_RNA)
where:
Base-Base interactions energy: -31.861
where: short stacking energy: -26.479
Base-Backbone interact. energy: -0.005
local terms energy: -58.064262
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -80.308817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.308817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.308817 (E_RNA)
where:
Base-Base interactions energy: -23.221
where: short stacking energy: -22.119
Base-Backbone interact. energy: -0.239
local terms energy: -56.848795
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -9.471
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: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -78.818046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.818046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.818046 (E_RNA)
where:
Base-Base interactions energy: -21.965
where: short stacking energy: -21.965
Base-Backbone interact. energy: -0.057
local terms energy: -56.796383
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -8.704
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -70.495768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.495768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.495768 (E_RNA)
where:
Base-Base interactions energy: -27.281
where: short stacking energy: -27.457
Base-Backbone interact. energy: 0.076
local terms energy: -43.290476
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -0.737
tors. eta vs tors. theta energy: -7.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -202.974982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.974982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.974982 (E_RNA)
where:
Base-Base interactions energy: -131.155
where: short stacking energy: -64.464
Base-Backbone interact. energy: -0.096
local terms energy: -71.724288
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -19.922
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: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -185.238856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.238856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.238856 (E_RNA)
where:
Base-Base interactions energy: -112.555
where: short stacking energy: -59.388
Base-Backbone interact. energy: -0.008
local terms energy: -72.675775
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -15.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -181.773406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.773406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.773406 (E_RNA)
where:
Base-Base interactions energy: -121.781
where: short stacking energy: -51.911
Base-Backbone interact. energy: -0.707
local terms energy: -59.285212
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: 0.917
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -168.917920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.917920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.917920 (E_RNA)
where:
Base-Base interactions energy: -101.258
where: short stacking energy: -54.459
Base-Backbone interact. energy: -0.153
local terms energy: -67.506776
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -182.537635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.537635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.537635 (E_RNA)
where:
Base-Base interactions energy: -115.156
where: short stacking energy: -57.900
Base-Backbone interact. energy: -0.128
local terms energy: -67.253492
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -7.702
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: 6, replica: 2
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -116.245126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.245126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.245126 (E_RNA)
where:
Base-Base interactions energy: -59.586
where: short stacking energy: -42.615
Base-Backbone interact. energy: 1.933
local terms energy: -58.592339
where:
bonds (distance) C4'-P energy: -8.074
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -7.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -104.835476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.835476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.835476 (E_RNA)
where:
Base-Base interactions energy: -54.472
where: short stacking energy: -32.692
Base-Backbone interact. energy: 1.093
local terms energy: -51.456038
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -6.474
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: 249
Temperature: 1.250000
Total energy: -84.136968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.136968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.136968 (E_RNA)
where:
Base-Base interactions energy: -27.144
where: short stacking energy: -24.929
Base-Backbone interact. energy: -0.085
local terms energy: -56.908196
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -4.113
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: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -84.906403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.906403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.906403 (E_RNA)
where:
Base-Base interactions energy: -38.669
where: short stacking energy: -25.126
Base-Backbone interact. energy: -0.202
local terms energy: -46.035190
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -10.451
flat angles P-C4'-P energy: -4.299
tors. eta vs tors. theta energy: -0.546
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: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -73.696702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.696702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.696702 (E_RNA)
where:
Base-Base interactions energy: -25.567
where: short stacking energy: -24.888
Base-Backbone interact. energy: -0.444
local terms energy: -47.685587
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -3.039
tors. eta vs tors. theta energy: -1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -214.593538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.593538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.593538 (E_RNA)
where:
Base-Base interactions energy: -139.748
where: short stacking energy: -59.196
Base-Backbone interact. energy: -0.004
local terms energy: -74.841403
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -18.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -193.542881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.542881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.542881 (E_RNA)
where:
Base-Base interactions energy: -125.874
where: short stacking energy: -59.792
Base-Backbone interact. energy: -0.006
local terms energy: -67.663170
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -18.434
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: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -180.975565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.975565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.975565 (E_RNA)
where:
Base-Base interactions energy: -109.052
where: short stacking energy: -53.536
Base-Backbone interact. energy: -1.918
local terms energy: -70.006453
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -176.985191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.985191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.985191 (E_RNA)
where:
Base-Base interactions energy: -116.149
where: short stacking energy: -50.756
Base-Backbone interact. energy: 0.771
local terms energy: -61.606898
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -10.912
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -184.867015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.867015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.867015 (E_RNA)
where:
Base-Base interactions energy: -115.775
where: short stacking energy: -53.246
Base-Backbone interact. energy: -0.099
local terms energy: -68.992615
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -15.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -93.125707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.125707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.125707 (E_RNA)
where:
Base-Base interactions energy: -39.468
where: short stacking energy: -32.484
Base-Backbone interact. energy: -0.073
local terms energy: -53.585414
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -85.212958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.212958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.212958 (E_RNA)
where:
Base-Base interactions energy: -29.988
where: short stacking energy: -29.988
Base-Backbone interact. energy: -0.065
local terms energy: -55.160166
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -2.269
tors. eta vs tors. theta energy: -8.759
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: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -86.686374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.686374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.686374 (E_RNA)
where:
Base-Base interactions energy: -36.056
where: short stacking energy: -20.065
Base-Backbone interact. energy: -1.391
local terms energy: -49.239953
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -8.715
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -0.833
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: 9
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -73.906529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.906529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.906529 (E_RNA)
where:
Base-Base interactions energy: -28.086
where: short stacking energy: -14.294
Base-Backbone interact. energy: -0.200
local terms energy: -45.620595
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -8.659
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -72.761994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.761994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.761994 (E_RNA)
where:
Base-Base interactions energy: -21.324
where: short stacking energy: -20.246
Base-Backbone interact. energy: -0.071
local terms energy: -51.367810
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -220.364429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.364429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.364429 (E_RNA)
where:
Base-Base interactions energy: -146.854
where: short stacking energy: -70.523
Base-Backbone interact. energy: -0.631
local terms energy: -72.880096
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -11.668
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -195.567120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.567120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.567120 (E_RNA)
where:
Base-Base interactions energy: -125.283
where: short stacking energy: -59.751
Base-Backbone interact. energy: -0.070
local terms energy: -70.214125
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -12.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -184.323155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.323155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.323155 (E_RNA)
where:
Base-Base interactions energy: -115.994
where: short stacking energy: -53.815
Base-Backbone interact. energy: 0.438
local terms energy: -68.767319
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -12.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -175.551500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.551500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.551500 (E_RNA)
where:
Base-Base interactions energy: -105.829
where: short stacking energy: -41.957
Base-Backbone interact. energy: -0.055
local terms energy: -69.667341
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -14.153
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: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -167.788031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.788031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.788031 (E_RNA)
where:
Base-Base interactions energy: -101.546
where: short stacking energy: -49.054
Base-Backbone interact. energy: 3.157
local terms energy: -69.399110
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -11.486
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: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -104.248842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.248842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.248842 (E_RNA)
where:
Base-Base interactions energy: -43.745
where: short stacking energy: -22.220
Base-Backbone interact. energy: -0.136
local terms energy: -60.367664
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -2.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -82.261533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.261533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.261533 (E_RNA)
where:
Base-Base interactions energy: -28.561
where: short stacking energy: -28.561
Base-Backbone interact. energy: -0.107
local terms energy: -53.593839
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -8.174
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: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -121.660215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.660215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.660215 (E_RNA)
where:
Base-Base interactions energy: -72.524
where: short stacking energy: -32.722
Base-Backbone interact. energy: -0.159
local terms energy: -48.976659
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -11.875
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -4.174
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: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -82.653295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.653295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.653295 (E_RNA)
where:
Base-Base interactions energy: -28.019
where: short stacking energy: -24.271
Base-Backbone interact. energy: 0.779
local terms energy: -55.413661
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -4.045
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: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -72.085498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.085498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.085498 (E_RNA)
where:
Base-Base interactions energy: -29.450
where: short stacking energy: -24.746
Base-Backbone interact. energy: -0.036
local terms energy: -42.599046
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -8.774
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: 1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -207.147509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.147509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.147509 (E_RNA)
where:
Base-Base interactions energy: -134.111
where: short stacking energy: -60.858
Base-Backbone interact. energy: -0.004
local terms energy: -73.033217
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -19.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -195.684037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.684037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.684037 (E_RNA)
where:
Base-Base interactions energy: -118.242
where: short stacking energy: -57.821
Base-Backbone interact. energy: -0.258
local terms energy: -77.183820
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -21.090
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: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -198.464953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.464953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.464953 (E_RNA)
where:
Base-Base interactions energy: -132.982
where: short stacking energy: -62.818
Base-Backbone interact. energy: -1.060
local terms energy: -64.422795
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -18.082
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: 252
Temperature: 1.050000
Total energy: -155.813879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.813879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.813879 (E_RNA)
where:
Base-Base interactions energy: -98.272
where: short stacking energy: -47.949
Base-Backbone interact. energy: -0.216
local terms energy: -57.325345
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -8.598
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -167.021441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.021441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.021441 (E_RNA)
where:
Base-Base interactions energy: -106.983
where: short stacking energy: -45.008
Base-Backbone interact. energy: -0.146
local terms energy: -59.892274
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -11.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -89.835844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.835844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.835844 (E_RNA)
where:
Base-Base interactions energy: -38.443
where: short stacking energy: -38.443
Base-Backbone interact. energy: -0.001
local terms energy: -51.392223
where:
bonds (distance) C4'-P energy: -7.137
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -5.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -139.731511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.731511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.731511 (E_RNA)
where:
Base-Base interactions energy: -81.447
where: short stacking energy: -33.509
Base-Backbone interact. energy: 0.889
local terms energy: -59.173634
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -5.477
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -86.034489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.034489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.034489 (E_RNA)
where:
Base-Base interactions energy: -37.615
where: short stacking energy: -33.533
Base-Backbone interact. energy: -0.146
local terms energy: -48.273295
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -10.950
flat angles P-C4'-P energy: -1.840
tors. eta vs tors. theta energy: -5.373
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: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -81.819100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.819100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.819100 (E_RNA)
where:
Base-Base interactions energy: -25.941
where: short stacking energy: -24.956
Base-Backbone interact. energy: -0.048
local terms energy: -55.829516
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -1.274
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: 6
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -78.016387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.016387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.016387 (E_RNA)
where:
Base-Base interactions energy: -27.724
where: short stacking energy: -27.724
Base-Backbone interact. energy: 1.416
local terms energy: -51.708434
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -8.250
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -206.906274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.906274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.906274 (E_RNA)
where:
Base-Base interactions energy: -122.369
where: short stacking energy: -62.542
Base-Backbone interact. energy: -1.907
local terms energy: -82.630393
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -20.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -196.059154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.059154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.059154 (E_RNA)
where:
Base-Base interactions energy: -119.455
where: short stacking energy: -59.617
Base-Backbone interact. energy: -0.844
local terms energy: -75.760875
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -17.401
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -194.068752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.068752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.068752 (E_RNA)
where:
Base-Base interactions energy: -127.817
where: short stacking energy: -65.666
Base-Backbone interact. energy: 0.014
local terms energy: -66.265970
where:
bonds (distance) C4'-P energy: -6.890
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -18.610
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: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -153.781240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.781240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.781240 (E_RNA)
where:
Base-Base interactions energy: -86.814
where: short stacking energy: -39.818
Base-Backbone interact. energy: -0.008
local terms energy: -66.959390
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -148.673965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.673965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.673965 (E_RNA)
where:
Base-Base interactions energy: -89.709
where: short stacking energy: -40.027
Base-Backbone interact. energy: -0.044
local terms energy: -58.921282
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -152.439932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.439932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.439932 (E_RNA)
where:
Base-Base interactions energy: -99.928
where: short stacking energy: -46.977
Base-Backbone interact. energy: -0.027
local terms energy: -52.484706
where:
bonds (distance) C4'-P energy: -9.349
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -13.061
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: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -88.687833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.687833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.687833 (E_RNA)
where:
Base-Base interactions energy: -32.552
where: short stacking energy: -29.380
Base-Backbone interact. energy: -1.013
local terms energy: -55.123717
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -6.963
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -87.404137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.404137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.404137 (E_RNA)
where:
Base-Base interactions energy: -38.583
where: short stacking energy: -19.341
Base-Backbone interact. energy: -0.103
local terms energy: -48.718289
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -11.467
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: 9, replica: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -74.334900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.334900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.334900 (E_RNA)
where:
Base-Base interactions energy: -28.744
where: short stacking energy: -25.879
Base-Backbone interact. energy: -0.108
local terms energy: -45.482990
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -79.754215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.754215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.754215 (E_RNA)
where:
Base-Base interactions energy: -23.580
where: short stacking energy: -23.187
Base-Backbone interact. energy: -0.107
local terms energy: -56.066758
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -202.629519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.629519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.629519 (E_RNA)
where:
Base-Base interactions energy: -126.414
where: short stacking energy: -57.871
Base-Backbone interact. energy: -0.483
local terms energy: -75.732167
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -207.644350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.644350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.644350 (E_RNA)
where:
Base-Base interactions energy: -128.252
where: short stacking energy: -62.646
Base-Backbone interact. energy: -0.294
local terms energy: -79.098462
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -21.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -195.174734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.174734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.174734 (E_RNA)
where:
Base-Base interactions energy: -124.604
where: short stacking energy: -58.956
Base-Backbone interact. energy: -0.276
local terms energy: -70.295157
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -16.023
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: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -167.836632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.836632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.836632 (E_RNA)
where:
Base-Base interactions energy: -95.271
where: short stacking energy: -57.642
Base-Backbone interact. energy: -0.261
local terms energy: -72.305034
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -12.593
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: 8
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -170.716177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.716177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.716177 (E_RNA)
where:
Base-Base interactions energy: -103.663
where: short stacking energy: -56.017
Base-Backbone interact. energy: -0.043
local terms energy: -67.009885
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -10.679
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: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -161.688774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.688774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.688774 (E_RNA)
where:
Base-Base interactions energy: -101.467
where: short stacking energy: -45.665
Base-Backbone interact. energy: -0.521
local terms energy: -59.700526
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -82.801100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.801100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.801100 (E_RNA)
where:
Base-Base interactions energy: -35.037
where: short stacking energy: -33.534
Base-Backbone interact. energy: -0.005
local terms energy: -47.759381
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -4.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -86.526717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.526717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.526717 (E_RNA)
where:
Base-Base interactions energy: -32.790
where: short stacking energy: -22.645
Base-Backbone interact. energy: -0.355
local terms energy: -53.381179
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -9.755
flat angles P-C4'-P energy: -10.165
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: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -70.943240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.943240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.943240 (E_RNA)
where:
Base-Base interactions energy: -26.081
where: short stacking energy: -22.924
Base-Backbone interact. energy: -0.251
local terms energy: -44.611816
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: 3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -74.964694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.964694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.964694 (E_RNA)
where:
Base-Base interactions energy: -26.381
where: short stacking energy: -24.294
Base-Backbone interact. energy: 2.762
local terms energy: -51.345373
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -4.999
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: 1, replica: 5
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -200.944037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.944037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.944037 (E_RNA)
where:
Base-Base interactions energy: -127.637
where: short stacking energy: -60.459
Base-Backbone interact. energy: -0.087
local terms energy: -73.220892
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -13.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -197.137432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.137432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.137432 (E_RNA)
where:
Base-Base interactions energy: -124.983
where: short stacking energy: -63.723
Base-Backbone interact. energy: -0.123
local terms energy: -72.031753
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -16.725
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: 3
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -193.561992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.561992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.561992 (E_RNA)
where:
Base-Base interactions energy: -117.804
where: short stacking energy: -65.795
Base-Backbone interact. energy: -0.302
local terms energy: -75.455815
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -20.175
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: 255
Temperature: 1.050000
Total energy: -190.240866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.240866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.240866 (E_RNA)
where:
Base-Base interactions energy: -117.706
where: short stacking energy: -54.756
Base-Backbone interact. energy: -0.191
local terms energy: -72.344166
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -9.984
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -173.099611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.099611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.099611 (E_RNA)
where:
Base-Base interactions energy: -109.431
where: short stacking energy: -56.264
Base-Backbone interact. energy: -0.283
local terms energy: -63.385210
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: -14.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -161.065536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.065536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.065536 (E_RNA)
where:
Base-Base interactions energy: -94.734
where: short stacking energy: -38.885
Base-Backbone interact. energy: -0.038
local terms energy: -66.292825
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -11.650
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -12.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -98.521528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.521528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.521528 (E_RNA)
where:
Base-Base interactions energy: -47.694
where: short stacking energy: -41.376
Base-Backbone interact. energy: -0.256
local terms energy: -50.571739
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -8.307
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -8.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -73.467576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.467576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.467576 (E_RNA)
where:
Base-Base interactions energy: -23.134
where: short stacking energy: -23.134
Base-Backbone interact. energy: -0.089
local terms energy: -50.244387
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -86.571952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.571952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.571952 (E_RNA)
where:
Base-Base interactions energy: -35.424
where: short stacking energy: -35.424
Base-Backbone interact. energy: -0.082
local terms energy: -51.065458
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -6.745
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: 2
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -71.182131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.182131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.182131 (E_RNA)
where:
Base-Base interactions energy: -24.873
where: short stacking energy: -24.873
Base-Backbone interact. energy: -0.101
local terms energy: -46.208072
where:
bonds (distance) C4'-P energy: -6.083
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -213.660474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.660474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.660474 (E_RNA)
where:
Base-Base interactions energy: -138.402
where: short stacking energy: -70.761
Base-Backbone interact. energy: -0.011
local terms energy: -75.246786
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -19.356
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: 2, replica: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -200.888240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.888240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.888240 (E_RNA)
where:
Base-Base interactions energy: -125.168
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.331
local terms energy: -75.388983
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -8.131
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: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -195.647665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.647665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.647665 (E_RNA)
where:
Base-Base interactions energy: -114.919
where: short stacking energy: -62.724
Base-Backbone interact. energy: -0.004
local terms energy: -80.724442
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -18.033
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: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -182.626776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.626776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.626776 (E_RNA)
where:
Base-Base interactions energy: -109.304
where: short stacking energy: -55.944
Base-Backbone interact. energy: -0.005
local terms energy: -73.317831
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -16.505
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -172.238600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.238600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.238600 (E_RNA)
where:
Base-Base interactions energy: -107.884
where: short stacking energy: -49.672
Base-Backbone interact. energy: -0.125
local terms energy: -64.229550
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -17.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -161.481285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.481285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.481285 (E_RNA)
where:
Base-Base interactions energy: -94.502
where: short stacking energy: -47.318
Base-Backbone interact. energy: -0.195
local terms energy: -66.783819
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -10.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -87.298136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.298136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.298136 (E_RNA)
where:
Base-Base interactions energy: -37.464
where: short stacking energy: -31.281
Base-Backbone interact. energy: -0.162
local terms energy: -49.672134
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -3.352
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: 8, replica: 9
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -88.927453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.927453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.927453 (E_RNA)
where:
Base-Base interactions energy: -33.088
where: short stacking energy: -25.375
Base-Backbone interact. energy: 0.826
local terms energy: -56.666009
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -8.188
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: 9, replica: 2
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -83.165649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.165649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.165649 (E_RNA)
where:
Base-Base interactions energy: -31.589
where: short stacking energy: -22.583
Base-Backbone interact. energy: 0.644
local terms energy: -52.220721
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -8.427
flat angles P-C4'-P energy: -8.053
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: 256
Temperature: 1.350000
Total energy: -78.978806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.978806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.978806 (E_RNA)
where:
Base-Base interactions energy: -26.791
where: short stacking energy: -25.231
Base-Backbone interact. energy: 0.530
local terms energy: -52.717562
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -4.151
tors. eta vs tors. theta energy: -4.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -201.460919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.460919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.460919 (E_RNA)
where:
Base-Base interactions energy: -129.353
where: short stacking energy: -56.132
Base-Backbone interact. energy: 0.278
local terms energy: -72.386430
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -14.573
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: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -188.545492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.545492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.545492 (E_RNA)
where:
Base-Base interactions energy: -113.689
where: short stacking energy: -51.530
Base-Backbone interact. energy: -0.176
local terms energy: -74.680796
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -10.913
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: 3
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -190.278656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.278656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.278656 (E_RNA)
where:
Base-Base interactions energy: -119.145
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.311
local terms energy: -70.823222
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -6.726
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -190.692182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.692182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.692182 (E_RNA)
where:
Base-Base interactions energy: -116.271
where: short stacking energy: -57.959
Base-Backbone interact. energy: -0.082
local terms energy: -74.339629
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -178.405045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.405045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.405045 (E_RNA)
where:
Base-Base interactions energy: -117.010
where: short stacking energy: -56.135
Base-Backbone interact. energy: 0.591
local terms energy: -61.986815
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -8.292
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -17.823
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: 257
Temperature: 1.150000
Total energy: -147.971886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.971886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.971886 (E_RNA)
where:
Base-Base interactions energy: -81.332
where: short stacking energy: -37.533
Base-Backbone interact. energy: -0.036
local terms energy: -66.603137
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -8.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -77.731382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.731382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.731382 (E_RNA)
where:
Base-Base interactions energy: -26.027
where: short stacking energy: -24.385
Base-Backbone interact. energy: -1.599
local terms energy: -50.105399
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: 0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -90.974489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.974489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.974489 (E_RNA)
where:
Base-Base interactions energy: -38.634
where: short stacking energy: -29.541
Base-Backbone interact. energy: -0.123
local terms energy: -52.217780
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -9.039
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: 9, replica: 9
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -76.653429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.653429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.653429 (E_RNA)
where:
Base-Base interactions energy: -28.625
where: short stacking energy: -23.188
Base-Backbone interact. energy: -0.196
local terms energy: -47.833181
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -5.993
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -1.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -67.494103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.494103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.494103 (E_RNA)
where:
Base-Base interactions energy: -27.858
where: short stacking energy: -27.858
Base-Backbone interact. energy: -0.165
local terms energy: -39.471176
where:
bonds (distance) C4'-P energy: -7.106
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -10.674
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: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -198.280847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.280847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.280847 (E_RNA)
where:
Base-Base interactions energy: -133.792
where: short stacking energy: -58.409
Base-Backbone interact. energy: -0.048
local terms energy: -64.441437
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -6.169
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -191.151142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.151142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.151142 (E_RNA)
where:
Base-Base interactions energy: -118.867
where: short stacking energy: -62.286
Base-Backbone interact. energy: -0.043
local terms energy: -72.241386
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -16.372
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: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -182.610721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.610721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.610721 (E_RNA)
where:
Base-Base interactions energy: -114.007
where: short stacking energy: -58.202
Base-Backbone interact. energy: -0.057
local terms energy: -68.546623
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -13.332
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: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -179.627059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.627059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.627059 (E_RNA)
where:
Base-Base interactions energy: -112.716
where: short stacking energy: -52.506
Base-Backbone interact. energy: -0.025
local terms energy: -66.886149
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -11.300
flat angles P-C4'-P energy: -10.356
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: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -172.798190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.798190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.798190 (E_RNA)
where:
Base-Base interactions energy: -110.784
where: short stacking energy: -45.734
Base-Backbone interact. energy: -0.040
local terms energy: -61.974013
where:
bonds (distance) C4'-P energy: -10.377
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -10.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -157.403575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.403575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.403575 (E_RNA)
where:
Base-Base interactions energy: -99.313
where: short stacking energy: -49.585
Base-Backbone interact. energy: -0.232
local terms energy: -57.858723
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -4.932
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -95.429577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.429577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.429577 (E_RNA)
where:
Base-Base interactions energy: -33.959
where: short stacking energy: -32.655
Base-Backbone interact. energy: -0.047
local terms energy: -61.423863
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -11.830
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: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -84.902780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.902780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.902780 (E_RNA)
where:
Base-Base interactions energy: -34.167
where: short stacking energy: -34.167
Base-Backbone interact. energy: -0.022
local terms energy: -50.714122
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -6.650
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: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -74.739740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.739740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.739740 (E_RNA)
where:
Base-Base interactions energy: -21.880
where: short stacking energy: -16.112
Base-Backbone interact. energy: -0.113
local terms energy: -52.747116
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: 0.688
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: 9
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -84.579269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.579269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.579269 (E_RNA)
where:
Base-Base interactions energy: -31.943
where: short stacking energy: -29.567
Base-Backbone interact. energy: -0.230
local terms energy: -52.406918
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -195.285754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.285754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.285754 (E_RNA)
where:
Base-Base interactions energy: -118.031
where: short stacking energy: -61.126
Base-Backbone interact. energy: -0.001
local terms energy: -77.253316
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -17.009
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: 5
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -196.960747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.960747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.960747 (E_RNA)
where:
Base-Base interactions energy: -124.487
where: short stacking energy: -63.758
Base-Backbone interact. energy: -0.588
local terms energy: -71.885746
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -12.682
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -184.576747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.576747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.576747 (E_RNA)
where:
Base-Base interactions energy: -126.637
where: short stacking energy: -54.391
Base-Backbone interact. energy: -0.013
local terms energy: -57.927369
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -13.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -184.466848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.466848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.466848 (E_RNA)
where:
Base-Base interactions energy: -115.139
where: short stacking energy: -59.279
Base-Backbone interact. energy: -0.833
local terms energy: -68.494405
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -164.667202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.667202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.667202 (E_RNA)
where:
Base-Base interactions energy: -101.617
where: short stacking energy: -45.712
Base-Backbone interact. energy: -0.231
local terms energy: -62.819037
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -10.305
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -12.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -164.581618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.581618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.581618 (E_RNA)
where:
Base-Base interactions energy: -99.384
where: short stacking energy: -45.507
Base-Backbone interact. energy: -0.080
local terms energy: -65.117388
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -13.303
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: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -97.969627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.969627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.969627 (E_RNA)
where:
Base-Base interactions energy: -35.595
where: short stacking energy: -33.230
Base-Backbone interact. energy: -0.066
local terms energy: -62.308668
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -3.487
tors. eta vs tors. theta energy: -10.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -81.342000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.342000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.342000 (E_RNA)
where:
Base-Base interactions energy: -32.898
where: short stacking energy: -25.840
Base-Backbone interact. energy: -0.747
local terms energy: -47.697349
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -10.404
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -7.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -87.788850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.788850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.788850 (E_RNA)
where:
Base-Base interactions energy: -40.620
where: short stacking energy: -33.455
Base-Backbone interact. energy: -0.052
local terms energy: -47.116501
where:
bonds (distance) C4'-P energy: -5.585
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -10.543
flat angles P-C4'-P energy: -7.191
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: 9
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -95.146284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.146284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.146284 (E_RNA)
where:
Base-Base interactions energy: -44.842
where: short stacking energy: -26.352
Base-Backbone interact. energy: -0.040
local terms energy: -50.263977
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: -2.338
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: 1, replica: 5
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -196.013666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.013666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.013666 (E_RNA)
where:
Base-Base interactions energy: -132.342
where: short stacking energy: -60.197
Base-Backbone interact. energy: -0.006
local terms energy: -63.665106
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -10.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -189.981368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.981368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.981368 (E_RNA)
where:
Base-Base interactions energy: -122.739
where: short stacking energy: -59.956
Base-Backbone interact. energy: -0.041
local terms energy: -67.200952
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -7.443
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: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -196.287352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.287352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.287352 (E_RNA)
where:
Base-Base interactions energy: -129.226
where: short stacking energy: -56.825
Base-Backbone interact. energy: 1.118
local terms energy: -68.179602
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -12.268
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: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -168.152066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.152066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.152066 (E_RNA)
where:
Base-Base interactions energy: -106.173
where: short stacking energy: -41.436
Base-Backbone interact. energy: -0.017
local terms energy: -61.962735
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -7.069
tors. eta vs tors. theta energy: -11.272
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: 260
Temperature: 1.100000
Total energy: -166.694573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.694573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.694573 (E_RNA)
where:
Base-Base interactions energy: -111.100
where: short stacking energy: -54.256
Base-Backbone interact. energy: -0.056
local terms energy: -55.538488
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -9.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -165.311464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.311464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.311464 (E_RNA)
where:
Base-Base interactions energy: -96.922
where: short stacking energy: -37.265
Base-Backbone interact. energy: -0.022
local terms energy: -68.367642
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -11.314
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: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -101.392416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.392416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.392416 (E_RNA)
where:
Base-Base interactions energy: -45.713
where: short stacking energy: -45.713
Base-Backbone interact. energy: -0.365
local terms energy: -55.314082
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -7.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -94.349064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.349064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.349064 (E_RNA)
where:
Base-Base interactions energy: -32.771
where: short stacking energy: -32.771
Base-Backbone interact. energy: -0.027
local terms energy: -61.550770
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -8.249
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: 9, replica: 9
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -73.324698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.324698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.324698 (E_RNA)
where:
Base-Base interactions energy: -29.603
where: short stacking energy: -29.413
Base-Backbone interact. energy: -0.036
local terms energy: -43.685462
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -2.730
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -80.951696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.951696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.951696 (E_RNA)
where:
Base-Base interactions energy: -29.643
where: short stacking energy: -27.864
Base-Backbone interact. energy: -0.188
local terms energy: -51.120614
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -5.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -194.394554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.394554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.394554 (E_RNA)
where:
Base-Base interactions energy: -121.873
where: short stacking energy: -61.646
Base-Backbone interact. energy: 1.269
local terms energy: -73.791155
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -10.072
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: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -198.704265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.704265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.704265 (E_RNA)
where:
Base-Base interactions energy: -133.073
where: short stacking energy: -60.361
Base-Backbone interact. energy: -0.014
local terms energy: -65.617893
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -15.296
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: 1
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -183.417102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.417102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.417102 (E_RNA)
where:
Base-Base interactions energy: -112.035
where: short stacking energy: -57.160
Base-Backbone interact. energy: -0.901
local terms energy: -70.480321
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -12.938
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: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -154.193491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.193491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.193491 (E_RNA)
where:
Base-Base interactions energy: -86.412
where: short stacking energy: -48.829
Base-Backbone interact. energy: -0.042
local terms energy: -67.739478
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -10.555
tors. eta vs tors. theta energy: -14.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -179.255445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.255445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.255445 (E_RNA)
where:
Base-Base interactions energy: -112.123
where: short stacking energy: -50.793
Base-Backbone interact. energy: -0.025
local terms energy: -67.107674
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -162.615121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.615121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.615121 (E_RNA)
where:
Base-Base interactions energy: -97.863
where: short stacking energy: -46.543
Base-Backbone interact. energy: -0.123
local terms energy: -64.628724
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -10.188
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: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -96.469587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.469587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.469587 (E_RNA)
where:
Base-Base interactions energy: -37.118
where: short stacking energy: -36.023
Base-Backbone interact. energy: -0.685
local terms energy: -58.666764
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -92.350364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.350364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.350364 (E_RNA)
where:
Base-Base interactions energy: -44.504
where: short stacking energy: -21.000
Base-Backbone interact. energy: -0.185
local terms energy: -47.661044
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: 0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -76.915950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.915950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.915950 (E_RNA)
where:
Base-Base interactions energy: -31.144
where: short stacking energy: -26.653
Base-Backbone interact. energy: -0.013
local terms energy: -45.758551
where:
bonds (distance) C4'-P energy: -7.537
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -9.042
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: -7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -78.333518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.333518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.333518 (E_RNA)
where:
Base-Base interactions energy: -28.254
where: short stacking energy: -25.225
Base-Backbone interact. energy: -0.146
local terms energy: -49.934126
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -8.474
flat angles C4'-P-C4' energy: -13.292
flat angles P-C4'-P energy: -9.782
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: 1, replica: 3
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -198.724273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.724273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.724273 (E_RNA)
where:
Base-Base interactions energy: -120.053
where: short stacking energy: -66.635
Base-Backbone interact. energy: -0.016
local terms energy: -78.654588
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -193.951905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.951905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.951905 (E_RNA)
where:
Base-Base interactions energy: -121.155
where: short stacking energy: -66.508
Base-Backbone interact. energy: -0.049
local terms energy: -72.747329
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -18.142
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: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -187.089171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.089171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.089171 (E_RNA)
where:
Base-Base interactions energy: -115.700
where: short stacking energy: -55.376
Base-Backbone interact. energy: -0.357
local terms energy: -71.032127
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -17.358
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: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -169.413713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.413713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.413713 (E_RNA)
where:
Base-Base interactions energy: -105.946
where: short stacking energy: -47.093
Base-Backbone interact. energy: -0.204
local terms energy: -63.263758
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -11.305
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -14.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -169.023564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.023564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.023564 (E_RNA)
where:
Base-Base interactions energy: -106.955
where: short stacking energy: -52.407
Base-Backbone interact. energy: -0.010
local terms energy: -62.057943
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -14.500
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: 4
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -148.229202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.229202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.229202 (E_RNA)
where:
Base-Base interactions energy: -84.559
where: short stacking energy: -42.117
Base-Backbone interact. energy: -0.471
local terms energy: -63.199348
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -10.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -90.347641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.347641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.347641 (E_RNA)
where:
Base-Base interactions energy: -40.670
where: short stacking energy: -24.467
Base-Backbone interact. energy: -0.143
local terms energy: -49.534653
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -8.023
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: 8, replica: 9
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -84.200303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.200303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.200303 (E_RNA)
where:
Base-Base interactions energy: -34.169
where: short stacking energy: -34.169
Base-Backbone interact. energy: -0.274
local terms energy: -49.757599
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -8.710
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -76.306014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.306014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.306014 (E_RNA)
where:
Base-Base interactions energy: -26.741
where: short stacking energy: -22.394
Base-Backbone interact. energy: -0.015
local terms energy: -49.549917
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -72.250762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.250762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.250762 (E_RNA)
where:
Base-Base interactions energy: -25.572
where: short stacking energy: -24.454
Base-Backbone interact. energy: 0.121
local terms energy: -46.799786
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -9.765
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: 1, replica: 3
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -203.604062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.604062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.604062 (E_RNA)
where:
Base-Base interactions energy: -132.764
where: short stacking energy: -55.093
Base-Backbone interact. energy: -0.096
local terms energy: -70.743664
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -197.857836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.857836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.857836 (E_RNA)
where:
Base-Base interactions energy: -123.580
where: short stacking energy: -61.681
Base-Backbone interact. energy: -0.382
local terms energy: -73.896678
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -11.895
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: 3, replica: 5
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -182.623550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.623550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.623550 (E_RNA)
where:
Base-Base interactions energy: -111.403
where: short stacking energy: -54.083
Base-Backbone interact. energy: -0.391
local terms energy: -70.829743
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -177.161690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.161690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.161690 (E_RNA)
where:
Base-Base interactions energy: -103.564
where: short stacking energy: -48.802
Base-Backbone interact. energy: -1.048
local terms energy: -72.549519
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -184.334920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.334920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.334920 (E_RNA)
where:
Base-Base interactions energy: -116.195
where: short stacking energy: -50.342
Base-Backbone interact. energy: -0.347
local terms energy: -67.793153
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -157.205911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.205911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.205911 (E_RNA)
where:
Base-Base interactions energy: -94.122
where: short stacking energy: -44.802
Base-Backbone interact. energy: -0.388
local terms energy: -62.695548
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -10.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -83.626371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.626371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.626371 (E_RNA)
where:
Base-Base interactions energy: -29.831
where: short stacking energy: -24.744
Base-Backbone interact. energy: -0.162
local terms energy: -53.634276
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -4.203
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: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -78.480278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.480278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.480278 (E_RNA)
where:
Base-Base interactions energy: -26.375
where: short stacking energy: -24.270
Base-Backbone interact. energy: -0.258
local terms energy: -51.847414
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -77.125123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.125123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.125123 (E_RNA)
where:
Base-Base interactions energy: -23.872
where: short stacking energy: -23.872
Base-Backbone interact. energy: -0.050
local terms energy: -53.202866
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -9.418
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -2.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -78.446481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.446481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.446481 (E_RNA)
where:
Base-Base interactions energy: -29.642
where: short stacking energy: -30.142
Base-Backbone interact. energy: -0.661
local terms energy: -48.144154
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -5.306
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: 1, replica: 3
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -194.176818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.176818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.176818 (E_RNA)
where:
Base-Base interactions energy: -126.879
where: short stacking energy: -56.381
Base-Backbone interact. energy: -0.111
local terms energy: -67.187230
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: -11.675
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: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -199.283148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.283148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.283148 (E_RNA)
where:
Base-Base interactions energy: -126.106
where: short stacking energy: -55.448
Base-Backbone interact. energy: -0.052
local terms energy: -73.125277
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -18.947
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: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -180.670542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.670542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.670542 (E_RNA)
where:
Base-Base interactions energy: -110.741
where: short stacking energy: -57.170
Base-Backbone interact. energy: -0.048
local terms energy: -69.882140
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -177.497414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.497414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.497414 (E_RNA)
where:
Base-Base interactions energy: -104.694
where: short stacking energy: -57.536
Base-Backbone interact. energy: -0.140
local terms energy: -72.663909
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -170.572887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.572887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.572887 (E_RNA)
where:
Base-Base interactions energy: -106.934
where: short stacking energy: -53.345
Base-Backbone interact. energy: 0.239
local terms energy: -63.877758
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -12.601
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: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -162.108787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.108787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.108787 (E_RNA)
where:
Base-Base interactions energy: -104.964
where: short stacking energy: -53.227
Base-Backbone interact. energy: -0.014
local terms energy: -57.131546
where:
bonds (distance) C4'-P energy: -7.011
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -11.486
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: 264
Temperature: 1.200000
Total energy: -87.729283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.729283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.729283 (E_RNA)
where:
Base-Base interactions energy: -40.716
where: short stacking energy: -35.075
Base-Backbone interact. energy: -0.711
local terms energy: -46.302588
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -4.255
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: 8, replica: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -100.160043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.160043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.160043 (E_RNA)
where:
Base-Base interactions energy: -53.774
where: short stacking energy: -29.751
Base-Backbone interact. energy: 0.432
local terms energy: -46.818297
where:
bonds (distance) C4'-P energy: -10.606
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -96.888621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.888621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.888621 (E_RNA)
where:
Base-Base interactions energy: -55.263
where: short stacking energy: -30.020
Base-Backbone interact. energy: -0.246
local terms energy: -41.379755
where:
bonds (distance) C4'-P energy: -5.699
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -3.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -75.529309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.529309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.529309 (E_RNA)
where:
Base-Base interactions energy: -42.091
where: short stacking energy: -26.286
Base-Backbone interact. energy: -0.233
local terms energy: -33.205542
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -5.109
flat angles P-C4'-P energy: -2.876
tors. eta vs tors. theta energy: 0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -199.073957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.073957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.073957 (E_RNA)
where:
Base-Base interactions energy: -136.998
where: short stacking energy: -61.135
Base-Backbone interact. energy: -0.033
local terms energy: -62.043340
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -6.979
tors. eta vs tors. theta energy: -12.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -198.425673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.425673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.425673 (E_RNA)
where:
Base-Base interactions energy: -121.979
where: short stacking energy: -58.812
Base-Backbone interact. energy: -0.163
local terms energy: -76.283405
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -19.296
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: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -182.207504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.207504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.207504 (E_RNA)
where:
Base-Base interactions energy: -114.534
where: short stacking energy: -52.081
Base-Backbone interact. energy: -0.051
local terms energy: -67.622609
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -14.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -190.719047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.719047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.719047 (E_RNA)
where:
Base-Base interactions energy: -118.531
where: short stacking energy: -60.068
Base-Backbone interact. energy: 0.903
local terms energy: -73.091033
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -11.305
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: 5, replica: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -160.386185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.386185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.386185 (E_RNA)
where:
Base-Base interactions energy: -96.560
where: short stacking energy: -31.306
Base-Backbone interact. energy: -0.555
local terms energy: -63.270982
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -175.008183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.008183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.008183 (E_RNA)
where:
Base-Base interactions energy: -111.769
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.089
local terms energy: -63.149446
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -12.005
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: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -92.556863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.556863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.556863 (E_RNA)
where:
Base-Base interactions energy: -41.056
where: short stacking energy: -40.562
Base-Backbone interact. energy: -0.010
local terms energy: -51.490919
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -8.842
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -2.768
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: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -86.346715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.346715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.346715 (E_RNA)
where:
Base-Base interactions energy: -33.291
where: short stacking energy: -27.752
Base-Backbone interact. energy: 1.096
local terms energy: -54.151812
where:
bonds (distance) C4'-P energy: -9.549
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -12.077
tors. eta vs tors. theta energy: -3.393
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: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -95.933231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.933231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.933231 (E_RNA)
where:
Base-Base interactions energy: -40.588
where: short stacking energy: -30.535
Base-Backbone interact. energy: -0.232
local terms energy: -55.112719
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -7.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -72.186191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.186191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.186191 (E_RNA)
where:
Base-Base interactions energy: -27.250
where: short stacking energy: -21.762
Base-Backbone interact. energy: 0.447
local terms energy: -45.383199
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -8.673
flat angles P-C4'-P energy: -2.860
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -200.957129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.957129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.957129 (E_RNA)
where:
Base-Base interactions energy: -125.971
where: short stacking energy: -56.477
Base-Backbone interact. energy: -0.642
local terms energy: -74.344201
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -10.985
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: 2, replica: 3
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -197.380254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.380254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.380254 (E_RNA)
where:
Base-Base interactions energy: -127.612
where: short stacking energy: -58.197
Base-Backbone interact. energy: -0.205
local terms energy: -69.563747
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -15.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -173.821286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.821286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.821286 (E_RNA)
where:
Base-Base interactions energy: -117.916
where: short stacking energy: -48.595
Base-Backbone interact. energy: -0.102
local terms energy: -55.803281
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -163.262903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.262903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.262903 (E_RNA)
where:
Base-Base interactions energy: -103.451
where: short stacking energy: -55.444
Base-Backbone interact. energy: -0.549
local terms energy: -59.262365
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -172.670694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.670694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.670694 (E_RNA)
where:
Base-Base interactions energy: -108.092
where: short stacking energy: -51.951
Base-Backbone interact. energy: -1.165
local terms energy: -63.412993
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -184.602964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.602964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.602964 (E_RNA)
where:
Base-Base interactions energy: -119.359
where: short stacking energy: -48.045
Base-Backbone interact. energy: 0.172
local terms energy: -65.416060
where:
bonds (distance) C4'-P energy: -10.530
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -89.883165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.883165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.883165 (E_RNA)
where:
Base-Base interactions energy: -30.544
where: short stacking energy: -30.544
Base-Backbone interact. energy: -0.293
local terms energy: -59.046413
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -9.456
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: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -100.820784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.820784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.820784 (E_RNA)
where:
Base-Base interactions energy: -42.059
where: short stacking energy: -20.473
Base-Backbone interact. energy: -0.143
local terms energy: -58.618955
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -2.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -78.839510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.839510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.839510 (E_RNA)
where:
Base-Base interactions energy: -22.785
where: short stacking energy: -20.257
Base-Backbone interact. energy: -0.020
local terms energy: -56.034664
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.545
flat angles P-C4'-P energy: -10.125
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: 10, replica: 9
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -69.673879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.673879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.673879 (E_RNA)
where:
Base-Base interactions energy: -30.224
where: short stacking energy: -10.098
Base-Backbone interact. energy: 0.081
local terms energy: -39.530782
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -1.427
tors. eta vs tors. theta energy: 4.525
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: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -216.984999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.984999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.984999 (E_RNA)
where:
Base-Base interactions energy: -138.686
where: short stacking energy: -65.887
Base-Backbone interact. energy: -0.064
local terms energy: -78.234160
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -184.845173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.845173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.845173 (E_RNA)
where:
Base-Base interactions energy: -121.049
where: short stacking energy: -60.725
Base-Backbone interact. energy: -0.000
local terms energy: -63.795786
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -8.915
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -18.640
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: 3, replica: 3
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -192.400036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.400036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.400036 (E_RNA)
where:
Base-Base interactions energy: -118.536
where: short stacking energy: -56.111
Base-Backbone interact. energy: 0.208
local terms energy: -74.071709
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -12.418
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: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -174.787639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.787639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.787639 (E_RNA)
where:
Base-Base interactions energy: -113.915
where: short stacking energy: -49.792
Base-Backbone interact. energy: -0.296
local terms energy: -60.576854
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -14.449
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: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -177.127356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.127356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.127356 (E_RNA)
where:
Base-Base interactions energy: -106.250
where: short stacking energy: -57.817
Base-Backbone interact. energy: -0.001
local terms energy: -70.875595
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -15.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -156.740463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.740463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.740463 (E_RNA)
where:
Base-Base interactions energy: -99.112
where: short stacking energy: -37.467
Base-Backbone interact. energy: -0.279
local terms energy: -57.348948
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -6.879
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: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -121.168887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.168887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.168887 (E_RNA)
where:
Base-Base interactions energy: -60.851
where: short stacking energy: -30.777
Base-Backbone interact. energy: -0.026
local terms energy: -60.291833
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -8.529
tors. eta vs tors. theta energy: -8.924
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: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -84.590221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.590221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.590221 (E_RNA)
where:
Base-Base interactions energy: -36.774
where: short stacking energy: -20.148
Base-Backbone interact. energy: -0.175
local terms energy: -47.642127
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -6.368
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -2.957
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: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -98.912130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.912130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.912130 (E_RNA)
where:
Base-Base interactions energy: -54.717
where: short stacking energy: -36.356
Base-Backbone interact. energy: -0.737
local terms energy: -43.458848
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -5.087
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -4.775
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: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -68.460479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.460479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.460479 (E_RNA)
where:
Base-Base interactions energy: -22.199
where: short stacking energy: -17.003
Base-Backbone interact. energy: -0.301
local terms energy: -45.960893
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: 0.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -205.261933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.261933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.261933 (E_RNA)
where:
Base-Base interactions energy: -130.149
where: short stacking energy: -67.118
Base-Backbone interact. energy: -1.300
local terms energy: -73.813719
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -17.417
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: 5
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -186.068870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.068870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.068870 (E_RNA)
where:
Base-Base interactions energy: -111.026
where: short stacking energy: -61.526
Base-Backbone interact. energy: -0.089
local terms energy: -74.953589
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -182.553333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.553333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.553333 (E_RNA)
where:
Base-Base interactions energy: -112.738
where: short stacking energy: -53.270
Base-Backbone interact. energy: -0.092
local terms energy: -69.722979
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -14.965
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -15.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -179.723686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.723686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.723686 (E_RNA)
where:
Base-Base interactions energy: -117.563
where: short stacking energy: -48.945
Base-Backbone interact. energy: -0.458
local terms energy: -61.702488
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -7.102
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: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -165.481723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.481723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.481723 (E_RNA)
where:
Base-Base interactions energy: -105.439
where: short stacking energy: -53.303
Base-Backbone interact. energy: -0.008
local terms energy: -60.035049
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -8.205
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -157.726834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.726834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.726834 (E_RNA)
where:
Base-Base interactions energy: -98.073
where: short stacking energy: -39.271
Base-Backbone interact. energy: -0.049
local terms energy: -59.605551
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -6.056
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -11.710
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: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -112.239493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.239493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.239493 (E_RNA)
where:
Base-Base interactions energy: -58.376
where: short stacking energy: -31.775
Base-Backbone interact. energy: 0.865
local terms energy: -54.728600
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -3.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -85.438440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.438440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.438440 (E_RNA)
where:
Base-Base interactions energy: -26.310
where: short stacking energy: -24.434
Base-Backbone interact. energy: -0.352
local terms energy: -58.776241
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -7.620
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: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -73.773342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.773342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.773342 (E_RNA)
where:
Base-Base interactions energy: -22.958
where: short stacking energy: -22.891
Base-Backbone interact. energy: 0.671
local terms energy: -51.486368
where:
bonds (distance) C4'-P energy: -8.848
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -10.528
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: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -69.175339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.175339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.175339 (E_RNA)
where:
Base-Base interactions energy: -27.826
where: short stacking energy: -11.531
Base-Backbone interact. energy: -1.414
local terms energy: -39.935193
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: 5.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -196.291717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.291717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.291717 (E_RNA)
where:
Base-Base interactions energy: -132.195
where: short stacking energy: -67.094
Base-Backbone interact. energy: -0.015
local terms energy: -64.081915
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -4.550
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: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -188.900409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.900409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.900409 (E_RNA)
where:
Base-Base interactions energy: -121.575
where: short stacking energy: -63.584
Base-Backbone interact. energy: -0.001
local terms energy: -67.324613
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -186.423339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.423339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.423339 (E_RNA)
where:
Base-Base interactions energy: -117.472
where: short stacking energy: -58.599
Base-Backbone interact. energy: -0.416
local terms energy: -68.535332
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -14.427
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: 269
Temperature: 1.050000
Total energy: -187.212092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.212092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.212092 (E_RNA)
where:
Base-Base interactions energy: -115.512
where: short stacking energy: -64.652
Base-Backbone interact. energy: -0.096
local terms energy: -71.604514
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -183.785127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.785127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.785127 (E_RNA)
where:
Base-Base interactions energy: -114.855
where: short stacking energy: -64.844
Base-Backbone interact. energy: -0.179
local terms energy: -68.750534
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -156.247827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.247827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.247827 (E_RNA)
where:
Base-Base interactions energy: -94.291
where: short stacking energy: -41.009
Base-Backbone interact. energy: -0.649
local terms energy: -61.307390
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -11.079
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: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -98.914577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.914577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.914577 (E_RNA)
where:
Base-Base interactions energy: -42.186
where: short stacking energy: -31.441
Base-Backbone interact. energy: 0.084
local terms energy: -56.813321
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -15.362
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -90.376477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.376477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.376477 (E_RNA)
where:
Base-Base interactions energy: -47.616
where: short stacking energy: -33.705
Base-Backbone interact. energy: -0.102
local terms energy: -42.658737
where:
bonds (distance) C4'-P energy: -8.986
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -10.327
flat angles P-C4'-P energy: -2.648
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -82.662450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.662450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.662450 (E_RNA)
where:
Base-Base interactions energy: -29.269
where: short stacking energy: -26.757
Base-Backbone interact. energy: -0.105
local terms energy: -53.288712
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -67.217000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.217000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.217000 (E_RNA)
where:
Base-Base interactions energy: -28.469
where: short stacking energy: -15.047
Base-Backbone interact. energy: 1.102
local terms energy: -39.849959
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: 2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -197.805930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.805930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.805930 (E_RNA)
where:
Base-Base interactions energy: -124.234
where: short stacking energy: -64.977
Base-Backbone interact. energy: 0.700
local terms energy: -74.272457
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -185.311756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.311756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.311756 (E_RNA)
where:
Base-Base interactions energy: -113.016
where: short stacking energy: -53.283
Base-Backbone interact. energy: 2.250
local terms energy: -74.545488
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -201.002506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.002506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.002506 (E_RNA)
where:
Base-Base interactions energy: -134.085
where: short stacking energy: -61.093
Base-Backbone interact. energy: 0.263
local terms energy: -67.179853
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -12.282
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: 4, replica: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -185.662286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.662286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.662286 (E_RNA)
where:
Base-Base interactions energy: -121.218
where: short stacking energy: -62.740
Base-Backbone interact. energy: -0.074
local terms energy: -64.370328
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -13.353
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: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -177.358362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.358362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.358362 (E_RNA)
where:
Base-Base interactions energy: -111.504
where: short stacking energy: -54.434
Base-Backbone interact. energy: -0.670
local terms energy: -65.184282
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -11.891
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: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -172.728529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.728529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.728529 (E_RNA)
where:
Base-Base interactions energy: -108.611
where: short stacking energy: -46.941
Base-Backbone interact. energy: -0.137
local terms energy: -63.981200
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -12.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -82.952606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.952606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.952606 (E_RNA)
where:
Base-Base interactions energy: -35.708
where: short stacking energy: -18.742
Base-Backbone interact. energy: -0.179
local terms energy: -47.065943
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -3.712
tors. eta vs tors. theta energy: 0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -89.795759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.795759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.795759 (E_RNA)
where:
Base-Base interactions energy: -30.524
where: short stacking energy: -27.499
Base-Backbone interact. energy: -0.318
local terms energy: -58.954149
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -10.722
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: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -87.485892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.485892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.485892 (E_RNA)
where:
Base-Base interactions energy: -36.648
where: short stacking energy: -36.648
Base-Backbone interact. energy: -0.168
local terms energy: -50.669550
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -8.602
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: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -76.193863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.193863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.193863 (E_RNA)
where:
Base-Base interactions energy: -38.338
where: short stacking energy: -25.830
Base-Backbone interact. energy: -0.188
local terms energy: -37.667992
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -8.663
flat angles C4'-P-C4' energy: -8.140
flat angles P-C4'-P energy: -6.953
tors. eta vs tors. theta energy: -2.338
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: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -195.663726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.663726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.663726 (E_RNA)
where:
Base-Base interactions energy: -126.954
where: short stacking energy: -56.244
Base-Backbone interact. energy: -0.207
local terms energy: -68.502252
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -12.004
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: 2, replica: 5
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -199.405346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.405346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.405346 (E_RNA)
where:
Base-Base interactions energy: -127.459
where: short stacking energy: -72.491
Base-Backbone interact. energy: -0.185
local terms energy: -71.761273
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -176.182366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.182366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.182366 (E_RNA)
where:
Base-Base interactions energy: -117.616
where: short stacking energy: -52.583
Base-Backbone interact. energy: 0.379
local terms energy: -58.945999
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -11.578
flat angles C4'-P-C4' energy: -10.222
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -180.684358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.684358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.684358 (E_RNA)
where:
Base-Base interactions energy: -112.822
where: short stacking energy: -53.703
Base-Backbone interact. energy: -0.684
local terms energy: -67.178367
where:
bonds (distance) C4'-P energy: -8.680
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -19.497
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: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -174.827854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.827854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.827854 (E_RNA)
where:
Base-Base interactions energy: -108.283
where: short stacking energy: -51.333
Base-Backbone interact. energy: -0.674
local terms energy: -65.870410
where:
bonds (distance) C4'-P energy: -8.545
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -15.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -154.092345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.092345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.092345 (E_RNA)
where:
Base-Base interactions energy: -92.580
where: short stacking energy: -43.465
Base-Backbone interact. energy: -0.103
local terms energy: -61.410261
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -8.712
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: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -99.494320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.494320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.494320 (E_RNA)
where:
Base-Base interactions energy: -39.799
where: short stacking energy: -39.799
Base-Backbone interact. energy: -0.028
local terms energy: -59.667833
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -7.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -77.236792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.236792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.236792 (E_RNA)
where:
Base-Base interactions energy: -32.896
where: short stacking energy: -29.995
Base-Backbone interact. energy: -0.092
local terms energy: -44.248950
where:
bonds (distance) C4'-P energy: -7.557
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -4.586
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: 9
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -79.241562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.241562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.241562 (E_RNA)
where:
Base-Base interactions energy: -30.092
where: short stacking energy: -30.092
Base-Backbone interact. energy: -0.077
local terms energy: -49.072257
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: 0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -82.726787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.726787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.726787 (E_RNA)
where:
Base-Base interactions energy: -37.398
where: short stacking energy: -20.216
Base-Backbone interact. energy: -0.029
local terms energy: -45.300018
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -7.837
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -205.039651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.039651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.039651 (E_RNA)
where:
Base-Base interactions energy: -125.438
where: short stacking energy: -63.617
Base-Backbone interact. energy: -0.667
local terms energy: -78.935258
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -21.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -194.057074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.057074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.057074 (E_RNA)
where:
Base-Base interactions energy: -116.213
where: short stacking energy: -58.450
Base-Backbone interact. energy: -0.173
local terms energy: -77.671356
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -16.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -190.627669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.627669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.627669 (E_RNA)
where:
Base-Base interactions energy: -118.840
where: short stacking energy: -52.337
Base-Backbone interact. energy: -0.364
local terms energy: -71.424190
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -11.116
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: 4, replica: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -186.912730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.912730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.912730 (E_RNA)
where:
Base-Base interactions energy: -111.545
where: short stacking energy: -49.939
Base-Backbone interact. energy: -0.204
local terms energy: -75.163774
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -16.539
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: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -182.248508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.248508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.248508 (E_RNA)
where:
Base-Base interactions energy: -122.436
where: short stacking energy: -59.367
Base-Backbone interact. energy: -0.016
local terms energy: -59.796661
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -4.107
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: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -160.293376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.293376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.293376 (E_RNA)
where:
Base-Base interactions energy: -93.990
where: short stacking energy: -38.089
Base-Backbone interact. energy: -0.032
local terms energy: -66.271165
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -9.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -87.470387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.470387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.470387 (E_RNA)
where:
Base-Base interactions energy: -29.327
where: short stacking energy: -26.237
Base-Backbone interact. energy: -0.014
local terms energy: -58.129444
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -87.289610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.289610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.289610 (E_RNA)
where:
Base-Base interactions energy: -36.836
where: short stacking energy: -31.237
Base-Backbone interact. energy: -0.392
local terms energy: -50.061053
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -8.352
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: 2
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -91.116570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.116570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.116570 (E_RNA)
where:
Base-Base interactions energy: -45.743
where: short stacking energy: -20.716
Base-Backbone interact. energy: -0.497
local terms energy: -44.875947
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -9.899
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -74.259891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.259891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.259891 (E_RNA)
where:
Base-Base interactions energy: -26.834
where: short stacking energy: -26.834
Base-Backbone interact. energy: -0.002
local terms energy: -47.423518
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -3.339
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -204.667392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.667392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.667392 (E_RNA)
where:
Base-Base interactions energy: -128.597
where: short stacking energy: -66.577
Base-Backbone interact. energy: -0.036
local terms energy: -76.034334
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -17.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -202.046315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.046315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.046315 (E_RNA)
where:
Base-Base interactions energy: -127.456
where: short stacking energy: -61.472
Base-Backbone interact. energy: -0.098
local terms energy: -74.492441
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -10.526
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -11.437
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: 3, replica: 4
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -176.462740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.462740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.462740 (E_RNA)
where:
Base-Base interactions energy: -107.925
where: short stacking energy: -54.242
Base-Backbone interact. energy: -0.053
local terms energy: -68.484590
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -14.406
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: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -181.431880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.431880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.431880 (E_RNA)
where:
Base-Base interactions energy: -113.388
where: short stacking energy: -57.206
Base-Backbone interact. energy: 0.642
local terms energy: -68.685330
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -12.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -178.611095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.611095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.611095 (E_RNA)
where:
Base-Base interactions energy: -113.892
where: short stacking energy: -58.361
Base-Backbone interact. energy: -0.490
local terms energy: -64.229040
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -9.771
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -158.037112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.037112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.037112 (E_RNA)
where:
Base-Base interactions energy: -98.899
where: short stacking energy: -36.808
Base-Backbone interact. energy: -0.324
local terms energy: -58.814140
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -9.031
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: 7
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -128.741153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.741153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.741153 (E_RNA)
where:
Base-Base interactions energy: -74.582
where: short stacking energy: -34.588
Base-Backbone interact. energy: -0.236
local terms energy: -53.922819
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -76.215344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.215344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.215344 (E_RNA)
where:
Base-Base interactions energy: -27.232
where: short stacking energy: -20.296
Base-Backbone interact. energy: -1.091
local terms energy: -47.891465
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -10.741
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -4.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -78.710241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.710241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.710241 (E_RNA)
where:
Base-Base interactions energy: -19.136
where: short stacking energy: -18.193
Base-Backbone interact. energy: -0.187
local terms energy: -59.387461
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -8.623
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: 9
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -68.892580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.892580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.892580 (E_RNA)
where:
Base-Base interactions energy: -21.217
where: short stacking energy: -17.536
Base-Backbone interact. energy: -0.204
local terms energy: -47.471950
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -3.450
tors. eta vs tors. theta energy: 2.664
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: 1, replica: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -210.595709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.595709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.595709 (E_RNA)
where:
Base-Base interactions energy: -145.154
where: short stacking energy: -63.044
Base-Backbone interact. energy: -0.028
local terms energy: -65.414299
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -14.780
flat angles P-C4'-P energy: -7.860
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -197.789443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.789443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.789443 (E_RNA)
where:
Base-Base interactions energy: -123.615
where: short stacking energy: -60.206
Base-Backbone interact. energy: -0.024
local terms energy: -74.150670
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -17.156
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: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -195.132442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.132442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.132442 (E_RNA)
where:
Base-Base interactions energy: -125.867
where: short stacking energy: -50.442
Base-Backbone interact. energy: -0.768
local terms energy: -68.497727
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -12.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -184.147498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.147498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.147498 (E_RNA)
where:
Base-Base interactions energy: -129.711
where: short stacking energy: -61.940
Base-Backbone interact. energy: -0.092
local terms energy: -54.344713
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -10.552
flat angles C4'-P-C4' energy: -7.656
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -137.136845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.136845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.136845 (E_RNA)
where:
Base-Base interactions energy: -85.080
where: short stacking energy: -32.332
Base-Backbone interact. energy: -0.238
local terms energy: -51.817962
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -168.007409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.007409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.007409 (E_RNA)
where:
Base-Base interactions energy: -100.445
where: short stacking energy: -46.694
Base-Backbone interact. energy: -0.776
local terms energy: -66.786202
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -137.364931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.364931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.364931 (E_RNA)
where:
Base-Base interactions energy: -81.017
where: short stacking energy: -30.218
Base-Backbone interact. energy: -0.167
local terms energy: -56.180435
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -5.710
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: 2
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -89.947614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.947614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.947614 (E_RNA)
where:
Base-Base interactions energy: -37.151
where: short stacking energy: -37.151
Base-Backbone interact. energy: -0.864
local terms energy: -51.932505
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -10.960
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -11.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -80.387240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.387240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.387240 (E_RNA)
where:
Base-Base interactions energy: -35.009
where: short stacking energy: -32.580
Base-Backbone interact. energy: -0.208
local terms energy: -45.169617
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -12.991
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -6.108
tors. eta vs tors. theta energy: 2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -79.447832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.447832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.447832 (E_RNA)
where:
Base-Base interactions energy: -37.590
where: short stacking energy: -31.298
Base-Backbone interact. energy: 0.132
local terms energy: -41.989858
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -5.135
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -197.419454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.419454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.419454 (E_RNA)
where:
Base-Base interactions energy: -127.468
where: short stacking energy: -64.799
Base-Backbone interact. energy: -0.192
local terms energy: -69.759257
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -17.929
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: 2, replica: 5
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -198.951723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.951723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.951723 (E_RNA)
where:
Base-Base interactions energy: -127.027
where: short stacking energy: -53.289
Base-Backbone interact. energy: -0.117
local terms energy: -71.808421
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -16.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -199.026783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.026783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.026783 (E_RNA)
where:
Base-Base interactions energy: -131.854
where: short stacking energy: -50.668
Base-Backbone interact. energy: 1.154
local terms energy: -68.327131
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -12.019
flat angles P-C4'-P energy: -9.953
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: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -154.425319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.425319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.425319 (E_RNA)
where:
Base-Base interactions energy: -99.919
where: short stacking energy: -56.164
Base-Backbone interact. energy: 1.844
local terms energy: -56.350746
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -10.991
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: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -184.876743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.876743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.876743 (E_RNA)
where:
Base-Base interactions energy: -120.283
where: short stacking energy: -55.157
Base-Backbone interact. energy: -0.051
local terms energy: -64.542772
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -11.286
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: 6, replica: 7
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -164.899192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.899192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.899192 (E_RNA)
where:
Base-Base interactions energy: -108.194
where: short stacking energy: -46.846
Base-Backbone interact. energy: -0.009
local terms energy: -56.696278
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -14.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -172.695597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.695597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.695597 (E_RNA)
where:
Base-Base interactions energy: -104.731
where: short stacking energy: -41.771
Base-Backbone interact. energy: -0.925
local terms energy: -67.039582
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -74.776979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.776979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.776979 (E_RNA)
where:
Base-Base interactions energy: -32.524
where: short stacking energy: -32.524
Base-Backbone interact. energy: -0.324
local terms energy: -41.929040
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: 4.347
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -84.757251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.757251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.757251 (E_RNA)
where:
Base-Base interactions energy: -32.395
where: short stacking energy: -23.339
Base-Backbone interact. energy: -0.269
local terms energy: -52.093896
where:
bonds (distance) C4'-P energy: -8.273
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -5.667
tors. eta vs tors. theta energy: -3.479
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: 10, replica: 6
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -71.878174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.878174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.878174 (E_RNA)
where:
Base-Base interactions energy: -25.814
where: short stacking energy: -21.493
Base-Backbone interact. energy: -0.604
local terms energy: -45.460923
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: 2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -202.967078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.967078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.967078 (E_RNA)
where:
Base-Base interactions energy: -133.217
where: short stacking energy: -60.169
Base-Backbone interact. energy: -0.174
local terms energy: -69.576005
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -14.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -201.272026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.272026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.272026 (E_RNA)
where:
Base-Base interactions energy: -127.818
where: short stacking energy: -64.696
Base-Backbone interact. energy: -0.291
local terms energy: -73.162621
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -201.806758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.806758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.806758 (E_RNA)
where:
Base-Base interactions energy: -129.636
where: short stacking energy: -64.636
Base-Backbone interact. energy: 0.448
local terms energy: -72.618710
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -19.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -161.521030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.521030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.521030 (E_RNA)
where:
Base-Base interactions energy: -110.583
where: short stacking energy: -48.928
Base-Backbone interact. energy: -0.641
local terms energy: -50.296826
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -9.130
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -8.582
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: 5, replica: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -172.333427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.333427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.333427 (E_RNA)
where:
Base-Base interactions energy: -110.454
where: short stacking energy: -49.218
Base-Backbone interact. energy: -0.199
local terms energy: -61.680206
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -10.633
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -132.079689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.079689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.079689 (E_RNA)
where:
Base-Base interactions energy: -80.023
where: short stacking energy: -33.220
Base-Backbone interact. energy: -0.113
local terms energy: -51.943199
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -10.931
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -6.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -153.305907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.305907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.305907 (E_RNA)
where:
Base-Base interactions energy: -93.139
where: short stacking energy: -40.382
Base-Backbone interact. energy: -0.001
local terms energy: -60.165230
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -10.236
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -11.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -85.078859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.078859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.078859 (E_RNA)
where:
Base-Base interactions energy: -35.333
where: short stacking energy: -28.724
Base-Backbone interact. energy: -0.365
local terms energy: -49.381049
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -4.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -90.329055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.329055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.329055 (E_RNA)
where:
Base-Base interactions energy: -37.416
where: short stacking energy: -29.200
Base-Backbone interact. energy: -0.253
local terms energy: -52.659815
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -8.131
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: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -65.261981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.261981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.261981 (E_RNA)
where:
Base-Base interactions energy: -15.819
where: short stacking energy: -15.819
Base-Backbone interact. energy: -0.168
local terms energy: -49.274207
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -1.976
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: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -197.069748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.069748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.069748 (E_RNA)
where:
Base-Base interactions energy: -129.120
where: short stacking energy: -71.852
Base-Backbone interact. energy: -0.008
local terms energy: -67.942081
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -18.343
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: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -194.206261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.206261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.206261 (E_RNA)
where:
Base-Base interactions energy: -120.741
where: short stacking energy: -54.761
Base-Backbone interact. energy: -1.150
local terms energy: -72.315217
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -196.263962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.263962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.263962 (E_RNA)
where:
Base-Base interactions energy: -128.574
where: short stacking energy: -56.603
Base-Backbone interact. energy: -0.195
local terms energy: -67.495032
where:
bonds (distance) C4'-P energy: -17.791
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -7.444
tors. eta vs tors. theta energy: -12.553
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: 277
Temperature: 1.050000
Total energy: -178.878651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.878651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.878651 (E_RNA)
where:
Base-Base interactions energy: -115.008
where: short stacking energy: -54.827
Base-Backbone interact. energy: -0.027
local terms energy: -63.843730
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -13.121
flat angles P-C4'-P energy: -11.160
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: 5, replica: 8
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -147.559505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.559505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.559505 (E_RNA)
where:
Base-Base interactions energy: -95.894
where: short stacking energy: -38.694
Base-Backbone interact. energy: -0.305
local terms energy: -51.360315
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -6.161
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: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -165.635596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.635596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.635596 (E_RNA)
where:
Base-Base interactions energy: -101.219
where: short stacking energy: -45.415
Base-Backbone interact. energy: 0.956
local terms energy: -65.372445
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -6.783
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: 7, replica: 7
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -147.958245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.958245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.958245 (E_RNA)
where:
Base-Base interactions energy: -101.391
where: short stacking energy: -44.407
Base-Backbone interact. energy: -0.150
local terms energy: -46.417539
where:
bonds (distance) C4'-P energy: -8.850
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -5.385
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: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -80.928497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.928497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.928497 (E_RNA)
where:
Base-Base interactions energy: -27.502
where: short stacking energy: -26.247
Base-Backbone interact. energy: -0.047
local terms energy: -53.379526
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -6.382
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: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -88.144092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.144092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.144092 (E_RNA)
where:
Base-Base interactions energy: -41.630
where: short stacking energy: -35.710
Base-Backbone interact. energy: -0.650
local terms energy: -45.864056
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -7.354
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -81.407422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.407422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.407422 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -25.067
Base-Backbone interact. energy: -0.162
local terms energy: -40.745317
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -11.761
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: 1.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -192.515758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.515758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.515758 (E_RNA)
where:
Base-Base interactions energy: -124.613
where: short stacking energy: -56.170
Base-Backbone interact. energy: -0.067
local terms energy: -67.835407
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -12.148
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -14.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -203.514856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.514856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.514856 (E_RNA)
where:
Base-Base interactions energy: -128.343
where: short stacking energy: -60.323
Base-Backbone interact. energy: -0.002
local terms energy: -75.169832
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -181.696095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.696095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.696095 (E_RNA)
where:
Base-Base interactions energy: -117.201
where: short stacking energy: -55.828
Base-Backbone interact. energy: 0.042
local terms energy: -64.537496
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -11.891
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: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -183.389239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.389239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.389239 (E_RNA)
where:
Base-Base interactions energy: -103.381
where: short stacking energy: -52.577
Base-Backbone interact. energy: 0.651
local terms energy: -80.659045
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -15.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -176.213225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.213225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.213225 (E_RNA)
where:
Base-Base interactions energy: -108.500
where: short stacking energy: -54.609
Base-Backbone interact. energy: -0.002
local terms energy: -67.710736
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -18.029
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: 8
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -156.385204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.385204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.385204 (E_RNA)
where:
Base-Base interactions energy: -102.306
where: short stacking energy: -43.839
Base-Backbone interact. energy: 2.319
local terms energy: -56.399042
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -9.410
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: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -88.640743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.640743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.640743 (E_RNA)
where:
Base-Base interactions energy: -38.757
where: short stacking energy: -17.904
Base-Backbone interact. energy: 1.481
local terms energy: -51.363953
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -6.987
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -5.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -155.538490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.538490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.538490 (E_RNA)
where:
Base-Base interactions energy: -102.057
where: short stacking energy: -44.605
Base-Backbone interact. energy: -0.017
local terms energy: -53.463522
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -12.951
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -2.884
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -79.725237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.725237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.725237 (E_RNA)
where:
Base-Base interactions energy: -29.171
where: short stacking energy: -18.164
Base-Backbone interact. energy: -0.043
local terms energy: -50.510521
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -73.525215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.525215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.525215 (E_RNA)
where:
Base-Base interactions energy: -23.224
where: short stacking energy: -16.863
Base-Backbone interact. energy: -0.398
local terms energy: -49.903363
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: 3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -193.888028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.888028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.888028 (E_RNA)
where:
Base-Base interactions energy: -117.345
where: short stacking energy: -57.705
Base-Backbone interact. energy: -0.072
local terms energy: -76.470735
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -23.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -191.690159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.690159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.690159 (E_RNA)
where:
Base-Base interactions energy: -122.335
where: short stacking energy: -53.752
Base-Backbone interact. energy: -0.091
local terms energy: -69.264583
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -7.843
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: 3, replica: 5
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -186.824221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.824221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.824221 (E_RNA)
where:
Base-Base interactions energy: -120.650
where: short stacking energy: -58.467
Base-Backbone interact. energy: -0.100
local terms energy: -66.073937
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: 0.777
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -176.563354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.563354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.563354 (E_RNA)
where:
Base-Base interactions energy: -116.494
where: short stacking energy: -48.585
Base-Backbone interact. energy: -0.320
local terms energy: -59.749151
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -9.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -186.344118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.344118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.344118 (E_RNA)
where:
Base-Base interactions energy: -118.286
where: short stacking energy: -55.109
Base-Backbone interact. energy: -0.021
local terms energy: -68.037514
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -15.417
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: 8
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -168.086410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.086410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.086410 (E_RNA)
where:
Base-Base interactions energy: -97.648
where: short stacking energy: -40.175
Base-Backbone interact. energy: -0.266
local terms energy: -70.172676
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -13.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -96.624146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.624146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.624146 (E_RNA)
where:
Base-Base interactions energy: -43.716
where: short stacking energy: -25.572
Base-Backbone interact. energy: 1.561
local terms energy: -54.468739
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -9.695
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -5.069
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: 8, replica: 7
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -161.742624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.742624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.742624 (E_RNA)
where:
Base-Base interactions energy: -92.130
where: short stacking energy: -37.965
Base-Backbone interact. energy: -0.046
local terms energy: -69.567105
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -15.974
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: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -77.124015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.124015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.124015 (E_RNA)
where:
Base-Base interactions energy: -26.822
where: short stacking energy: -27.008
Base-Backbone interact. energy: 0.314
local terms energy: -50.616468
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -6.929
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -3.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -79.758146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.758146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.758146 (E_RNA)
where:
Base-Base interactions energy: -19.880
where: short stacking energy: -19.880
Base-Backbone interact. energy: -0.036
local terms energy: -59.842458
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -1.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -194.513457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.513457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.513457 (E_RNA)
where:
Base-Base interactions energy: -121.025
where: short stacking energy: -58.084
Base-Backbone interact. energy: -0.004
local terms energy: -73.483831
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -179.983696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.983696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.983696 (E_RNA)
where:
Base-Base interactions energy: -111.516
where: short stacking energy: -51.523
Base-Backbone interact. energy: 0.799
local terms energy: -69.266453
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -12.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -196.229888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.229888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.229888 (E_RNA)
where:
Base-Base interactions energy: -125.489
where: short stacking energy: -61.215
Base-Backbone interact. energy: -0.229
local terms energy: -70.511855
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -179.045596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.045596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.045596 (E_RNA)
where:
Base-Base interactions energy: -116.927
where: short stacking energy: -43.288
Base-Backbone interact. energy: -0.247
local terms energy: -61.872237
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -10.275
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: 5, replica: 3
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -181.138107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.138107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.138107 (E_RNA)
where:
Base-Base interactions energy: -116.221
where: short stacking energy: -60.810
Base-Backbone interact. energy: -0.205
local terms energy: -64.712507
where:
bonds (distance) C4'-P energy: -6.083
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -10.051
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -169.066247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.066247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.066247 (E_RNA)
where:
Base-Base interactions energy: -105.842
where: short stacking energy: -44.917
Base-Backbone interact. energy: -0.105
local terms energy: -63.119466
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -12.507
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: 7, replica: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -89.929232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.929232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.929232 (E_RNA)
where:
Base-Base interactions energy: -33.193
where: short stacking energy: -31.789
Base-Backbone interact. energy: -0.246
local terms energy: -56.490365
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -7.047
tors. eta vs tors. theta energy: -6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -125.916460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.916460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.916460 (E_RNA)
where:
Base-Base interactions energy: -64.692
where: short stacking energy: -30.524
Base-Backbone interact. energy: -0.118
local terms energy: -61.106659
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -5.867
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: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -81.838916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.838916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.838916 (E_RNA)
where:
Base-Base interactions energy: -44.987
where: short stacking energy: -22.301
Base-Backbone interact. energy: -0.116
local terms energy: -36.735982
where:
bonds (distance) C4'-P energy: -8.452
bonds (distance) P-C4' energy: -7.804
flat angles C4'-P-C4' energy: -9.787
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -83.298189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.298189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.298189 (E_RNA)
where:
Base-Base interactions energy: -35.077
where: short stacking energy: -28.206
Base-Backbone interact. energy: -0.188
local terms energy: -48.032865
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -7.709
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: 1, replica: 4
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -189.370303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.370303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.370303 (E_RNA)
where:
Base-Base interactions energy: -121.769
where: short stacking energy: -48.633
Base-Backbone interact. energy: -0.661
local terms energy: -66.940174
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -9.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -189.928381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.928381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.928381 (E_RNA)
where:
Base-Base interactions energy: -111.701
where: short stacking energy: -57.074
Base-Backbone interact. energy: -0.591
local terms energy: -77.636870
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -11.580
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: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -187.612391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.612391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.612391 (E_RNA)
where:
Base-Base interactions energy: -113.219
where: short stacking energy: -50.547
Base-Backbone interact. energy: -0.049
local terms energy: -74.344300
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -194.160522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.160522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.160522 (E_RNA)
where:
Base-Base interactions energy: -125.043
where: short stacking energy: -58.557
Base-Backbone interact. energy: -0.073
local terms energy: -69.044650
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -13.310
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: 5, replica: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -163.946530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.946530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.946530 (E_RNA)
where:
Base-Base interactions energy: -101.665
where: short stacking energy: -49.863
Base-Backbone interact. energy: -0.605
local terms energy: -61.676977
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -11.332
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: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -163.084074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.084074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.084074 (E_RNA)
where:
Base-Base interactions energy: -96.705
where: short stacking energy: -45.278
Base-Backbone interact. energy: 0.266
local terms energy: -66.645131
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -7.897
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -17.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -97.723785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.723785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.723785 (E_RNA)
where:
Base-Base interactions energy: -39.717
where: short stacking energy: -39.717
Base-Backbone interact. energy: -0.001
local terms energy: -58.005667
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -9.737
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -10.771
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: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -104.292218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.292218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.292218 (E_RNA)
where:
Base-Base interactions energy: -48.979
where: short stacking energy: -23.540
Base-Backbone interact. energy: -0.173
local terms energy: -55.140260
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -10.101
flat angles P-C4'-P energy: -13.195
tors. eta vs tors. theta energy: -2.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -82.903062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.903062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.903062 (E_RNA)
where:
Base-Base interactions energy: -35.259
where: short stacking energy: -29.358
Base-Backbone interact. energy: 2.809
local terms energy: -50.453817
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -6.349
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -6.565
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: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -83.704961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.704961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.704961 (E_RNA)
where:
Base-Base interactions energy: -34.944
where: short stacking energy: -34.944
Base-Backbone interact. energy: -0.074
local terms energy: -48.687086
where:
bonds (distance) C4'-P energy: -10.286
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -5.805
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: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -191.228519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.228519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.228519 (E_RNA)
where:
Base-Base interactions energy: -123.576
where: short stacking energy: -57.610
Base-Backbone interact. energy: -0.257
local terms energy: -67.395906
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -183.533480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.533480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.533480 (E_RNA)
where:
Base-Base interactions energy: -115.316
where: short stacking energy: -56.566
Base-Backbone interact. energy: -0.006
local terms energy: -68.211990
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -185.686426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.686426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.686426 (E_RNA)
where:
Base-Base interactions energy: -119.372
where: short stacking energy: -61.733
Base-Backbone interact. energy: -0.002
local terms energy: -66.312468
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -15.728
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: 282
Temperature: 1.050000
Total energy: -183.513214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.513214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.513214 (E_RNA)
where:
Base-Base interactions energy: -110.415
where: short stacking energy: -61.018
Base-Backbone interact. energy: -0.010
local terms energy: -73.088870
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -164.469846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.469846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.469846 (E_RNA)
where:
Base-Base interactions energy: -101.173
where: short stacking energy: -50.814
Base-Backbone interact. energy: -0.112
local terms energy: -63.184338
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -169.149305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.149305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.149305 (E_RNA)
where:
Base-Base interactions energy: -104.742
where: short stacking energy: -50.076
Base-Backbone interact. energy: -0.112
local terms energy: -64.295554
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -10.740
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -14.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -100.223987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.223987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.223987 (E_RNA)
where:
Base-Base interactions energy: -41.412
where: short stacking energy: -32.862
Base-Backbone interact. energy: -0.001
local terms energy: -58.810890
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -6.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -91.706890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.706890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.706890 (E_RNA)
where:
Base-Base interactions energy: -44.975
where: short stacking energy: -40.867
Base-Backbone interact. energy: -0.198
local terms energy: -46.533673
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -5.383
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: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -79.280140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.280140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.280140 (E_RNA)
where:
Base-Base interactions energy: -24.915
where: short stacking energy: -22.099
Base-Backbone interact. energy: 0.736
local terms energy: -55.100731
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -8.838
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: 10, replica: 9
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -68.571998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.571998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.571998 (E_RNA)
where:
Base-Base interactions energy: -22.639
where: short stacking energy: -22.639
Base-Backbone interact. energy: -0.051
local terms energy: -45.881225
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -3.223
tors. eta vs tors. theta energy: -1.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -201.709909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.709909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.709909 (E_RNA)
where:
Base-Base interactions energy: -128.317
where: short stacking energy: -57.428
Base-Backbone interact. energy: -0.006
local terms energy: -73.386848
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -190.297574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.297574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.297574 (E_RNA)
where:
Base-Base interactions energy: -123.051
where: short stacking energy: -56.409
Base-Backbone interact. energy: -1.532
local terms energy: -65.714260
where:
bonds (distance) C4'-P energy: -8.046
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -8.708
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: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -197.871271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.871271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.871271 (E_RNA)
where:
Base-Base interactions energy: -123.627
where: short stacking energy: -65.917
Base-Backbone interact. energy: 1.844
local terms energy: -76.088361
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -190.096477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.096477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.096477 (E_RNA)
where:
Base-Base interactions energy: -111.263
where: short stacking energy: -62.909
Base-Backbone interact. energy: -0.085
local terms energy: -78.748260
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -13.136
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -174.852194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.852194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.852194 (E_RNA)
where:
Base-Base interactions energy: -103.860
where: short stacking energy: -52.340
Base-Backbone interact. energy: -0.022
local terms energy: -70.969710
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.389
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -94.938774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.938774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.938774 (E_RNA)
where:
Base-Base interactions energy: -36.965
where: short stacking energy: -36.965
Base-Backbone interact. energy: -0.221
local terms energy: -57.753211
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -6.999
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: 283
Temperature: 1.200000
Total energy: -172.095742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.095742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.095742 (E_RNA)
where:
Base-Base interactions energy: -105.063
where: short stacking energy: -54.674
Base-Backbone interact. energy: -1.608
local terms energy: -65.424807
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -14.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -88.023884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.023884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.023884 (E_RNA)
where:
Base-Base interactions energy: -36.669
where: short stacking energy: -35.038
Base-Backbone interact. energy: -0.231
local terms energy: -51.123571
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -80.232200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.232200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.232200 (E_RNA)
where:
Base-Base interactions energy: -38.304
where: short stacking energy: -22.485
Base-Backbone interact. energy: -0.255
local terms energy: -41.673628
where:
bonds (distance) C4'-P energy: -10.476
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -9.362
flat angles P-C4'-P energy: -6.183
tors. eta vs tors. theta energy: -4.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -85.159016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.159016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.159016 (E_RNA)
where:
Base-Base interactions energy: -36.125
where: short stacking energy: -22.591
Base-Backbone interact. energy: -0.157
local terms energy: -48.877259
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -198.953904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.953904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.953904 (E_RNA)
where:
Base-Base interactions energy: -114.797
where: short stacking energy: -51.154
Base-Backbone interact. energy: -0.204
local terms energy: -83.952350
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -17.337
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: 284
Temperature: 0.950000
Total energy: -203.873563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.873563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.873563 (E_RNA)
where:
Base-Base interactions energy: -132.244
where: short stacking energy: -54.345
Base-Backbone interact. energy: -0.002
local terms energy: -71.627976
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -191.091690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.091690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.091690 (E_RNA)
where:
Base-Base interactions energy: -122.220
where: short stacking energy: -62.227
Base-Backbone interact. energy: -0.558
local terms energy: -68.313093
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -16.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -194.721699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.721699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.721699 (E_RNA)
where:
Base-Base interactions energy: -123.953
where: short stacking energy: -47.491
Base-Backbone interact. energy: -0.003
local terms energy: -70.765310
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -15.402
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: 8
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -186.452997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.452997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.452997 (E_RNA)
where:
Base-Base interactions energy: -115.031
where: short stacking energy: -53.816
Base-Backbone interact. energy: -0.337
local terms energy: -71.085491
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -14.935
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: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -102.360819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.360819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.360819 (E_RNA)
where:
Base-Base interactions energy: -47.913
where: short stacking energy: -33.898
Base-Backbone interact. energy: 1.633
local terms energy: -56.080516
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.921
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: 7, replica: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -161.859619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.859619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.859619 (E_RNA)
where:
Base-Base interactions energy: -102.973
where: short stacking energy: -41.496
Base-Backbone interact. energy: -0.123
local terms energy: -58.763389
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -10.480
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: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -81.553627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.553627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.553627 (E_RNA)
where:
Base-Base interactions energy: -32.772
where: short stacking energy: -30.011
Base-Backbone interact. energy: -0.608
local terms energy: -48.174048
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -11.936
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -80.345268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.345268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.345268 (E_RNA)
where:
Base-Base interactions energy: -30.331
where: short stacking energy: -30.145
Base-Backbone interact. energy: -0.096
local terms energy: -49.918414
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: 1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -68.665838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.665838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.665838 (E_RNA)
where:
Base-Base interactions energy: -24.546
where: short stacking energy: -20.938
Base-Backbone interact. energy: -0.971
local terms energy: -43.149033
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -12.956
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -4.357
tors. eta vs tors. theta energy: -1.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -201.889852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.889852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.889852 (E_RNA)
where:
Base-Base interactions energy: -126.155
where: short stacking energy: -59.766
Base-Backbone interact. energy: -0.072
local terms energy: -75.662772
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -10.010
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -193.315050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.315050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.315050 (E_RNA)
where:
Base-Base interactions energy: -118.342
where: short stacking energy: -61.242
Base-Backbone interact. energy: -0.520
local terms energy: -74.453062
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -16.027
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -12.443
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: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -194.645814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.645814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.645814 (E_RNA)
where:
Base-Base interactions energy: -128.958
where: short stacking energy: -62.208
Base-Backbone interact. energy: -0.010
local terms energy: -65.678161
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -14.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -180.019196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.019196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.019196 (E_RNA)
where:
Base-Base interactions energy: -110.684
where: short stacking energy: -57.092
Base-Backbone interact. energy: -0.174
local terms energy: -69.160601
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -3.793
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: 5, replica: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -165.276725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.276725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.276725 (E_RNA)
where:
Base-Base interactions energy: -97.727
where: short stacking energy: -49.377
Base-Backbone interact. energy: -0.001
local terms energy: -67.549400
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -10.775
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: 6, replica: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -166.977035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.977035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.977035 (E_RNA)
where:
Base-Base interactions energy: -112.381
where: short stacking energy: -52.447
Base-Backbone interact. energy: -0.049
local terms energy: -54.547035
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -5.400
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -7.102
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: 7, replica: 6
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -95.709920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.709920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.709920 (E_RNA)
where:
Base-Base interactions energy: -38.917
where: short stacking energy: -38.917
Base-Backbone interact. energy: -0.003
local terms energy: -56.790507
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -8.664
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: 2
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -94.176585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.176585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.176585 (E_RNA)
where:
Base-Base interactions energy: -40.584
where: short stacking energy: -40.312
Base-Backbone interact. energy: -0.101
local terms energy: -53.492123
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -10.357
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -8.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -71.977761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.977761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.977761 (E_RNA)
where:
Base-Base interactions energy: -26.007
where: short stacking energy: -22.002
Base-Backbone interact. energy: -0.351
local terms energy: -45.619641
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -0.041
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: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -83.353660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.353660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.353660 (E_RNA)
where:
Base-Base interactions energy: -24.841
where: short stacking energy: -20.250
Base-Backbone interact. energy: -0.218
local terms energy: -58.295056
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -203.699634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.699634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.699634 (E_RNA)
where:
Base-Base interactions energy: -124.673
where: short stacking energy: -59.357
Base-Backbone interact. energy: -0.001
local terms energy: -79.025695
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -13.339
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: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -193.174632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.174632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.174632 (E_RNA)
where:
Base-Base interactions energy: -119.482
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.654
local terms energy: -73.038656
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -7.598
tors. eta vs tors. theta energy: -17.850
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: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -200.665791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.665791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.665791 (E_RNA)
where:
Base-Base interactions energy: -128.080
where: short stacking energy: -54.977
Base-Backbone interact. energy: -0.551
local terms energy: -72.035009
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -161.067176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.067176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.067176 (E_RNA)
where:
Base-Base interactions energy: -94.743
where: short stacking energy: -46.262
Base-Backbone interact. energy: -0.260
local terms energy: -66.064158
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -13.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -147.497196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.497196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.497196 (E_RNA)
where:
Base-Base interactions energy: -85.500
where: short stacking energy: -38.711
Base-Backbone interact. energy: -0.111
local terms energy: -61.886154
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -172.267716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.267716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.267716 (E_RNA)
where:
Base-Base interactions energy: -100.696
where: short stacking energy: -47.561
Base-Backbone interact. energy: -0.046
local terms energy: -71.525979
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -8.524
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: 7, replica: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -95.304976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.304976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.304976 (E_RNA)
where:
Base-Base interactions energy: -43.682
where: short stacking energy: -29.920
Base-Backbone interact. energy: -0.200
local terms energy: -51.422390
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -87.968085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.968085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.968085 (E_RNA)
where:
Base-Base interactions energy: -36.478
where: short stacking energy: -20.980
Base-Backbone interact. energy: -1.058
local terms energy: -50.432835
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: 0.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -71.542070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.542070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.542070 (E_RNA)
where:
Base-Base interactions energy: -25.006
where: short stacking energy: -24.778
Base-Backbone interact. energy: -0.237
local terms energy: -46.298702
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -6.517
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: 9
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -75.805799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.805799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.805799 (E_RNA)
where:
Base-Base interactions energy: -29.917
where: short stacking energy: -29.917
Base-Backbone interact. energy: 0.176
local terms energy: -46.065687
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -10.640
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -6.158
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: 1, replica: 3
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -212.775637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.775637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.775637 (E_RNA)
where:
Base-Base interactions energy: -133.042
where: short stacking energy: -69.563
Base-Backbone interact. energy: -0.043
local terms energy: -79.689918
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -12.255
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: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -198.994327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.994327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.994327 (E_RNA)
where:
Base-Base interactions energy: -131.578
where: short stacking energy: -62.618
Base-Backbone interact. energy: -0.282
local terms energy: -67.134538
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -11.591
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: 3, replica: 5
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -201.952054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.952054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.952054 (E_RNA)
where:
Base-Base interactions energy: -133.639
where: short stacking energy: -65.376
Base-Backbone interact. energy: -0.039
local terms energy: -68.274119
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -20.165
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: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -176.043373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.043373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.043373 (E_RNA)
where:
Base-Base interactions energy: -111.107
where: short stacking energy: -54.035
Base-Backbone interact. energy: -0.003
local terms energy: -64.933957
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -8.590
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -14.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -174.952096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.952096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.952096 (E_RNA)
where:
Base-Base interactions energy: -108.084
where: short stacking energy: -49.829
Base-Backbone interact. energy: -0.031
local terms energy: -66.836533
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -13.569
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -163.897639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.897639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.897639 (E_RNA)
where:
Base-Base interactions energy: -101.075
where: short stacking energy: -43.251
Base-Backbone interact. energy: 0.329
local terms energy: -63.152229
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -5.233
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -83.725298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.725298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.725298 (E_RNA)
where:
Base-Base interactions energy: -34.154
where: short stacking energy: -33.960
Base-Backbone interact. energy: -0.075
local terms energy: -49.496218
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -10.456
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -7.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -75.294708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.294708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.294708 (E_RNA)
where:
Base-Base interactions energy: -22.071
where: short stacking energy: -21.886
Base-Backbone interact. energy: -0.012
local terms energy: -53.212511
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -10.848
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -4.959
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: 287
Temperature: 1.300000
Total energy: -74.841589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.841589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.841589 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -18.658
Base-Backbone interact. energy: -0.160
local terms energy: -44.707450
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: 1.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -81.760349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.760349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.760349 (E_RNA)
where:
Base-Base interactions energy: -34.229
where: short stacking energy: -19.898
Base-Backbone interact. energy: 0.048
local terms energy: -47.579678
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -9.658
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -0.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -209.091209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.091209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.091209 (E_RNA)
where:
Base-Base interactions energy: -131.405
where: short stacking energy: -68.486
Base-Backbone interact. energy: -2.774
local terms energy: -74.912085
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -18.850
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: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -192.575080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.575080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.575080 (E_RNA)
where:
Base-Base interactions energy: -128.263
where: short stacking energy: -55.648
Base-Backbone interact. energy: -0.806
local terms energy: -63.506667
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -14.118
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: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -186.316576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.316576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.316576 (E_RNA)
where:
Base-Base interactions energy: -117.653
where: short stacking energy: -55.186
Base-Backbone interact. energy: -0.169
local terms energy: -68.494566
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -170.164722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.164722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.164722 (E_RNA)
where:
Base-Base interactions energy: -110.599
where: short stacking energy: -50.205
Base-Backbone interact. energy: -0.022
local terms energy: -59.542862
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -10.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -175.775879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.775879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.775879 (E_RNA)
where:
Base-Base interactions energy: -117.810
where: short stacking energy: -50.731
Base-Backbone interact. energy: -0.086
local terms energy: -57.880337
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -3.664
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -172.080157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.080157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.080157 (E_RNA)
where:
Base-Base interactions energy: -104.546
where: short stacking energy: -54.659
Base-Backbone interact. energy: -0.014
local terms energy: -67.520521
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -8.512
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: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -86.597259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.597259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.597259 (E_RNA)
where:
Base-Base interactions energy: -24.073
where: short stacking energy: -24.073
Base-Backbone interact. energy: -0.204
local terms energy: -62.320149
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -90.755943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.755943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.755943 (E_RNA)
where:
Base-Base interactions energy: -35.491
where: short stacking energy: -27.976
Base-Backbone interact. energy: -0.345
local terms energy: -54.918994
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -10.436
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: 9
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -86.771658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.771658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.771658 (E_RNA)
where:
Base-Base interactions energy: -28.019
where: short stacking energy: -26.047
Base-Backbone interact. energy: -0.166
local terms energy: -58.587158
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -4.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -77.731174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.731174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.731174 (E_RNA)
where:
Base-Base interactions energy: -29.331
where: short stacking energy: -29.022
Base-Backbone interact. energy: -0.340
local terms energy: -48.059895
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -10.046
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -10.966
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: 289
Temperature: 0.900000
Total energy: -205.004724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.004724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.004724 (E_RNA)
where:
Base-Base interactions energy: -128.767
where: short stacking energy: -65.592
Base-Backbone interact. energy: 0.484
local terms energy: -76.721445
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -199.507177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.507177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.507177 (E_RNA)
where:
Base-Base interactions energy: -127.685
where: short stacking energy: -62.850
Base-Backbone interact. energy: -0.031
local terms energy: -71.791318
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -18.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -177.594047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.594047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.594047 (E_RNA)
where:
Base-Base interactions energy: -110.964
where: short stacking energy: -62.454
Base-Backbone interact. energy: -0.023
local terms energy: -66.607275
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -180.793635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.793635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.793635 (E_RNA)
where:
Base-Base interactions energy: -113.039
where: short stacking energy: -56.928
Base-Backbone interact. energy: -0.968
local terms energy: -66.786898
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -19.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -175.509723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.509723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.509723 (E_RNA)
where:
Base-Base interactions energy: -117.926
where: short stacking energy: -51.633
Base-Backbone interact. energy: -0.021
local terms energy: -57.562816
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -7.018
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -6.756
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: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -125.987482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.987482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.987482 (E_RNA)
where:
Base-Base interactions energy: -77.486
where: short stacking energy: -38.375
Base-Backbone interact. energy: -0.160
local terms energy: -48.341715
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -7.257
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: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -151.327918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.327918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.327918 (E_RNA)
where:
Base-Base interactions energy: -96.445
where: short stacking energy: -38.508
Base-Backbone interact. energy: 0.858
local terms energy: -55.741549
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -2.556
tors. eta vs tors. theta energy: -9.727
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: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -91.869278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.869278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.869278 (E_RNA)
where:
Base-Base interactions energy: -42.608
where: short stacking energy: -42.608
Base-Backbone interact. energy: -0.076
local terms energy: -49.184556
where:
bonds (distance) C4'-P energy: -9.373
bonds (distance) P-C4' energy: -7.992
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -9.530
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: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -78.927606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.927606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.927606 (E_RNA)
where:
Base-Base interactions energy: -27.000
where: short stacking energy: -26.413
Base-Backbone interact. energy: -0.117
local terms energy: -51.810539
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -11.074
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: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -72.576763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.576763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.576763 (E_RNA)
where:
Base-Base interactions energy: -21.675
where: short stacking energy: -18.447
Base-Backbone interact. energy: -0.083
local terms energy: -50.818550
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -9.092
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -1.712
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: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -197.572247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.572247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.572247 (E_RNA)
where:
Base-Base interactions energy: -117.944
where: short stacking energy: -62.273
Base-Backbone interact. energy: -0.001
local terms energy: -79.627783
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -200.158810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.158810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.158810 (E_RNA)
where:
Base-Base interactions energy: -128.284
where: short stacking energy: -61.658
Base-Backbone interact. energy: -0.066
local terms energy: -71.809247
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -9.442
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: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -181.985236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.985236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.985236 (E_RNA)
where:
Base-Base interactions energy: -110.102
where: short stacking energy: -52.125
Base-Backbone interact. energy: -0.248
local terms energy: -71.635240
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -181.164325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.164325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.164325 (E_RNA)
where:
Base-Base interactions energy: -111.084
where: short stacking energy: -49.661
Base-Backbone interact. energy: -0.851
local terms energy: -69.229499
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -15.474
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: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -174.945748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.945748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.945748 (E_RNA)
where:
Base-Base interactions energy: -104.358
where: short stacking energy: -54.660
Base-Backbone interact. energy: -0.012
local terms energy: -70.575496
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -19.166
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: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -144.806221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.806221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.806221 (E_RNA)
where:
Base-Base interactions energy: -82.921
where: short stacking energy: -49.276
Base-Backbone interact. energy: -0.484
local terms energy: -61.401907
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -6.987
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: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -131.548670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.548670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.548670 (E_RNA)
where:
Base-Base interactions energy: -83.734
where: short stacking energy: -42.065
Base-Backbone interact. energy: -0.091
local terms energy: -47.723688
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -8.323
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: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -86.859310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.859310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.859310 (E_RNA)
where:
Base-Base interactions energy: -38.210
where: short stacking energy: -37.638
Base-Backbone interact. energy: -0.183
local terms energy: -48.466371
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -0.705
tors. eta vs tors. theta energy: -9.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -89.398437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.398437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.398437 (E_RNA)
where:
Base-Base interactions energy: -36.368
where: short stacking energy: -36.368
Base-Backbone interact. energy: -0.259
local terms energy: -52.772117
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -11.166
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -9.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -72.850439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.850439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.850439 (E_RNA)
where:
Base-Base interactions energy: -23.786
where: short stacking energy: -19.275
Base-Backbone interact. energy: -0.511
local terms energy: -48.553298
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -197.679488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.679488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.679488 (E_RNA)
where:
Base-Base interactions energy: -124.568
where: short stacking energy: -62.707
Base-Backbone interact. energy: -0.229
local terms energy: -72.882167
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -191.079988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.079988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.079988 (E_RNA)
where:
Base-Base interactions energy: -119.387
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.009
local terms energy: -71.683821
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -185.343920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.343920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.343920 (E_RNA)
where:
Base-Base interactions energy: -117.310
where: short stacking energy: -61.896
Base-Backbone interact. energy: -0.098
local terms energy: -67.936577
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -16.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -176.724558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.724558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.724558 (E_RNA)
where:
Base-Base interactions energy: -116.286
where: short stacking energy: -60.168
Base-Backbone interact. energy: -0.030
local terms energy: -60.409074
where:
bonds (distance) C4'-P energy: -8.021
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -17.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -148.766440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.766440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.766440 (E_RNA)
where:
Base-Base interactions energy: -78.299
where: short stacking energy: -36.990
Base-Backbone interact. energy: -0.273
local terms energy: -70.194324
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -142.989728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.989728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.989728 (E_RNA)
where:
Base-Base interactions energy: -75.935
where: short stacking energy: -39.449
Base-Backbone interact. energy: -0.064
local terms energy: -66.990748
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -11.244
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: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -139.863336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.863336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.863336 (E_RNA)
where:
Base-Base interactions energy: -82.878
where: short stacking energy: -40.116
Base-Backbone interact. energy: -2.170
local terms energy: -54.814980
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -9.121
flat angles P-C4'-P energy: -8.038
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: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -100.334711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.334711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.334711 (E_RNA)
where:
Base-Base interactions energy: -41.082
where: short stacking energy: -29.676
Base-Backbone interact. energy: -1.186
local terms energy: -58.066904
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -6.209
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: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -90.920368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.920368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.920368 (E_RNA)
where:
Base-Base interactions energy: -42.216
where: short stacking energy: -41.816
Base-Backbone interact. energy: -0.158
local terms energy: -48.546903
where:
bonds (distance) C4'-P energy: -9.292
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -7.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -82.701316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.701316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.701316 (E_RNA)
where:
Base-Base interactions energy: -26.789
where: short stacking energy: -26.789
Base-Backbone interact. energy: -0.572
local terms energy: -55.340385
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -4.961
tors. eta vs tors. theta energy: -3.471
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: 8
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -196.932216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.932216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.932216 (E_RNA)
where:
Base-Base interactions energy: -126.981
where: short stacking energy: -58.744
Base-Backbone interact. energy: -0.209
local terms energy: -69.742337
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -19.565
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: 4
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -198.263154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.263154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.263154 (E_RNA)
where:
Base-Base interactions energy: -122.659
where: short stacking energy: -53.191
Base-Backbone interact. energy: -0.689
local terms energy: -74.914929
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -19.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -198.503980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.503980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.503980 (E_RNA)
where:
Base-Base interactions energy: -125.430
where: short stacking energy: -62.438
Base-Backbone interact. energy: 1.166
local terms energy: -74.239895
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -21.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -179.009131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.009131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.009131 (E_RNA)
where:
Base-Base interactions energy: -112.736
where: short stacking energy: -56.678
Base-Backbone interact. energy: -0.189
local terms energy: -66.084812
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -174.193507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.193507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.193507 (E_RNA)
where:
Base-Base interactions energy: -111.350
where: short stacking energy: -54.107
Base-Backbone interact. energy: 0.860
local terms energy: -63.703587
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -9.750
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -144.932304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.932304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.932304 (E_RNA)
where:
Base-Base interactions energy: -91.072
where: short stacking energy: -48.023
Base-Backbone interact. energy: -0.077
local terms energy: -53.783367
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -8.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -162.713060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.713060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.713060 (E_RNA)
where:
Base-Base interactions energy: -96.512
where: short stacking energy: -48.174
Base-Backbone interact. energy: -0.682
local terms energy: -65.519153
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -86.951757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.951757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.951757 (E_RNA)
where:
Base-Base interactions energy: -35.905
where: short stacking energy: -32.832
Base-Backbone interact. energy: -0.054
local terms energy: -50.993257
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -3.463
tors. eta vs tors. theta energy: -3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -95.490026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.490026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.490026 (E_RNA)
where:
Base-Base interactions energy: -41.210
where: short stacking energy: -32.546
Base-Backbone interact. energy: -0.064
local terms energy: -54.216180
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -9.590
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: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -78.625381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.625381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.625381 (E_RNA)
where:
Base-Base interactions energy: -22.323
where: short stacking energy: -22.323
Base-Backbone interact. energy: -0.020
local terms energy: -56.282884
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -7.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -204.383060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.383060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.383060 (E_RNA)
where:
Base-Base interactions energy: -131.266
where: short stacking energy: -59.600
Base-Backbone interact. energy: -0.833
local terms energy: -72.284128
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -193.853054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.853054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.853054 (E_RNA)
where:
Base-Base interactions energy: -119.928
where: short stacking energy: -69.483
Base-Backbone interact. energy: -0.003
local terms energy: -73.921882
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -186.570272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.570272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.570272 (E_RNA)
where:
Base-Base interactions energy: -114.755
where: short stacking energy: -61.666
Base-Backbone interact. energy: 0.997
local terms energy: -72.812353
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -18.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -177.049956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.049956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.049956 (E_RNA)
where:
Base-Base interactions energy: -111.469
where: short stacking energy: -39.162
Base-Backbone interact. energy: -0.092
local terms energy: -65.489024
where:
bonds (distance) C4'-P energy: -15.410
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -177.506928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.506928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.506928 (E_RNA)
where:
Base-Base interactions energy: -108.655
where: short stacking energy: -56.459
Base-Backbone interact. energy: -0.483
local terms energy: -68.368663
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -11.553
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: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -181.746140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.746140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.746140 (E_RNA)
where:
Base-Base interactions energy: -116.251
where: short stacking energy: -46.045
Base-Backbone interact. energy: -0.036
local terms energy: -65.458831
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -135.653312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.653312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.653312 (E_RNA)
where:
Base-Base interactions energy: -86.416
where: short stacking energy: -26.032
Base-Backbone interact. energy: 0.156
local terms energy: -49.392662
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -9.567
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -86.442300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.442300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.442300 (E_RNA)
where:
Base-Base interactions energy: -26.934
where: short stacking energy: -26.934
Base-Backbone interact. energy: -0.073
local terms energy: -59.434855
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -7.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -78.413339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.413339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.413339 (E_RNA)
where:
Base-Base interactions energy: -24.325
where: short stacking energy: -20.111
Base-Backbone interact. energy: -0.158
local terms energy: -53.930216
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -92.911299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.911299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.911299 (E_RNA)
where:
Base-Base interactions energy: -45.639
where: short stacking energy: -30.579
Base-Backbone interact. energy: -0.037
local terms energy: -47.235147
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -6.921
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -202.921006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.921006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.921006 (E_RNA)
where:
Base-Base interactions energy: -132.659
where: short stacking energy: -66.846
Base-Backbone interact. energy: -0.164
local terms energy: -70.098713
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -9.923
tors. eta vs tors. theta energy: -17.927
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: 3
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -199.528865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.528865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.528865 (E_RNA)
where:
Base-Base interactions energy: -119.046
where: short stacking energy: -67.237
Base-Backbone interact. energy: -0.003
local terms energy: -80.480199
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -10.179
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: 3, replica: 1
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -180.887614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.887614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.887614 (E_RNA)
where:
Base-Base interactions energy: -118.417
where: short stacking energy: -55.582
Base-Backbone interact. energy: -0.114
local terms energy: -62.356616
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -13.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -182.506997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.506997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.506997 (E_RNA)
where:
Base-Base interactions energy: -108.962
where: short stacking energy: -54.917
Base-Backbone interact. energy: 0.157
local terms energy: -73.702104
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -168.252203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.252203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.252203 (E_RNA)
where:
Base-Base interactions energy: -111.248
where: short stacking energy: -51.657
Base-Backbone interact. energy: -0.232
local terms energy: -56.772158
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -11.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -175.376435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.376435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.376435 (E_RNA)
where:
Base-Base interactions energy: -118.788
where: short stacking energy: -54.907
Base-Backbone interact. energy: -0.011
local terms energy: -56.577775
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -10.115
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -13.422
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: 294
Temperature: 1.200000
Total energy: -146.534278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.534278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.534278 (E_RNA)
where:
Base-Base interactions energy: -87.247
where: short stacking energy: -35.964
Base-Backbone interact. energy: -0.032
local terms energy: -59.255756
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -89.654292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.654292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.654292 (E_RNA)
where:
Base-Base interactions energy: -39.366
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.347
local terms energy: -49.941861
where:
bonds (distance) C4'-P energy: -5.972
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -87.232275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.232275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.232275 (E_RNA)
where:
Base-Base interactions energy: -33.785
where: short stacking energy: -19.135
Base-Backbone interact. energy: -0.100
local terms energy: -53.347703
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -6.372
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: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -76.174361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.174361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.174361 (E_RNA)
where:
Base-Base interactions energy: -31.293
where: short stacking energy: -15.387
Base-Backbone interact. energy: 0.826
local terms energy: -45.707845
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: 5.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -195.781967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.781967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.781967 (E_RNA)
where:
Base-Base interactions energy: -115.023
where: short stacking energy: -59.171
Base-Backbone interact. energy: -0.461
local terms energy: -80.298616
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -194.900937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.900937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.900937 (E_RNA)
where:
Base-Base interactions energy: -122.295
where: short stacking energy: -58.393
Base-Backbone interact. energy: -0.627
local terms energy: -71.979562
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -16.850
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: 1
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -180.424582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.424582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.424582 (E_RNA)
where:
Base-Base interactions energy: -120.650
where: short stacking energy: -51.319
Base-Backbone interact. energy: -0.001
local terms energy: -59.772792
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -6.504
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -174.120969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.120969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.120969 (E_RNA)
where:
Base-Base interactions energy: -112.819
where: short stacking energy: -60.822
Base-Backbone interact. energy: -0.218
local terms energy: -61.084321
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -10.787
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: -13.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -170.177433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.177433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.177433 (E_RNA)
where:
Base-Base interactions energy: -109.271
where: short stacking energy: -50.421
Base-Backbone interact. energy: -0.726
local terms energy: -60.179823
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -138.057377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.057377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.057377 (E_RNA)
where:
Base-Base interactions energy: -70.527
where: short stacking energy: -47.449
Base-Backbone interact. energy: -0.703
local terms energy: -66.827525
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -8.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -161.367638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.367638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.367638 (E_RNA)
where:
Base-Base interactions energy: -110.212
where: short stacking energy: -49.790
Base-Backbone interact. energy: -0.160
local terms energy: -50.995964
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -3.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -80.548308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.548308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.548308 (E_RNA)
where:
Base-Base interactions energy: -27.975
where: short stacking energy: -27.246
Base-Backbone interact. energy: -0.264
local terms energy: -52.309411
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -13.002
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -2.220
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: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -88.202693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.202693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.202693 (E_RNA)
where:
Base-Base interactions energy: -31.284
where: short stacking energy: -30.157
Base-Backbone interact. energy: -0.118
local terms energy: -56.800723
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -77.803630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.803630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.803630 (E_RNA)
where:
Base-Base interactions energy: -24.192
where: short stacking energy: -24.169
Base-Backbone interact. energy: -0.261
local terms energy: -53.350350
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -11.829
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -208.928690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.928690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.928690 (E_RNA)
where:
Base-Base interactions energy: -135.037
where: short stacking energy: -62.967
Base-Backbone interact. energy: -2.958
local terms energy: -70.933682
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -196.981894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.981894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.981894 (E_RNA)
where:
Base-Base interactions energy: -126.462
where: short stacking energy: -58.613
Base-Backbone interact. energy: -0.020
local terms energy: -70.499790
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -15.313
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: 3, replica: 1
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -187.819426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.819426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.819426 (E_RNA)
where:
Base-Base interactions energy: -115.311
where: short stacking energy: -55.842
Base-Backbone interact. energy: -0.010
local terms energy: -72.498118
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -16.261
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: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -183.959056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.959056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.959056 (E_RNA)
where:
Base-Base interactions energy: -115.631
where: short stacking energy: -58.207
Base-Backbone interact. energy: -0.028
local terms energy: -68.300108
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -14.615
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: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -157.302989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.302989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.302989 (E_RNA)
where:
Base-Base interactions energy: -101.138
where: short stacking energy: -45.894
Base-Backbone interact. energy: -0.218
local terms energy: -55.947238
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -10.049
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: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -152.255644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.255644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.255644 (E_RNA)
where:
Base-Base interactions energy: -86.369
where: short stacking energy: -49.427
Base-Backbone interact. energy: -0.081
local terms energy: -65.805991
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -15.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -154.607773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.607773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.607773 (E_RNA)
where:
Base-Base interactions energy: -97.043
where: short stacking energy: -34.607
Base-Backbone interact. energy: -0.038
local terms energy: -57.527005
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -5.435
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: 7
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -78.012084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.012084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.012084 (E_RNA)
where:
Base-Base interactions energy: -25.522
where: short stacking energy: -25.522
Base-Backbone interact. energy: -0.088
local terms energy: -52.401675
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -11.452
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: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -76.820269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.820269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.820269 (E_RNA)
where:
Base-Base interactions energy: -20.167
where: short stacking energy: -20.015
Base-Backbone interact. energy: -0.128
local terms energy: -56.525742
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -67.428216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.428216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.428216 (E_RNA)
where:
Base-Base interactions energy: -22.149
where: short stacking energy: -22.149
Base-Backbone interact. energy: -0.143
local terms energy: -45.136356
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: 4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -213.656333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.656333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.656333 (E_RNA)
where:
Base-Base interactions energy: -139.468
where: short stacking energy: -75.368
Base-Backbone interact. energy: -0.638
local terms energy: -73.550090
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -17.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -190.780501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.780501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.780501 (E_RNA)
where:
Base-Base interactions energy: -118.220
where: short stacking energy: -59.963
Base-Backbone interact. energy: -0.022
local terms energy: -72.538610
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -176.506675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.506675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.506675 (E_RNA)
where:
Base-Base interactions energy: -113.886
where: short stacking energy: -60.908
Base-Backbone interact. energy: -0.021
local terms energy: -62.599754
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: -14.798
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: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -177.187826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.187826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.187826 (E_RNA)
where:
Base-Base interactions energy: -107.750
where: short stacking energy: -49.897
Base-Backbone interact. energy: -0.069
local terms energy: -69.368650
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -6.103
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -179.835903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.835903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.835903 (E_RNA)
where:
Base-Base interactions energy: -111.676
where: short stacking energy: -53.991
Base-Backbone interact. energy: -0.045
local terms energy: -68.115282
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -163.470959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.470959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.470959 (E_RNA)
where:
Base-Base interactions energy: -102.472
where: short stacking energy: -49.556
Base-Backbone interact. energy: 1.649
local terms energy: -62.647649
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -7.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -137.408110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.408110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.408110 (E_RNA)
where:
Base-Base interactions energy: -82.585
where: short stacking energy: -40.695
Base-Backbone interact. energy: -0.281
local terms energy: -54.542593
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -9.214
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -13.574
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: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -82.057784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.057784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.057784 (E_RNA)
where:
Base-Base interactions energy: -28.932
where: short stacking energy: -25.057
Base-Backbone interact. energy: -0.017
local terms energy: -53.108819
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -6.097
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: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -86.726386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.726386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.726386 (E_RNA)
where:
Base-Base interactions energy: -33.870
where: short stacking energy: -24.127
Base-Backbone interact. energy: -0.217
local terms energy: -52.638551
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -81.675941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.675941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.675941 (E_RNA)
where:
Base-Base interactions energy: -43.820
where: short stacking energy: -25.752
Base-Backbone interact. energy: -0.173
local terms energy: -37.682341
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -4.981
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: 0.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -204.051868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.051868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.051868 (E_RNA)
where:
Base-Base interactions energy: -125.865
where: short stacking energy: -68.015
Base-Backbone interact. energy: -0.005
local terms energy: -78.181578
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -184.167024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.167024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.167024 (E_RNA)
where:
Base-Base interactions energy: -110.971
where: short stacking energy: -49.405
Base-Backbone interact. energy: -0.075
local terms energy: -73.120146
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -8.959
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: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -190.055088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.055088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.055088 (E_RNA)
where:
Base-Base interactions energy: -115.669
where: short stacking energy: -58.430
Base-Backbone interact. energy: 0.629
local terms energy: -75.015055
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -18.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -172.180692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.180692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.180692 (E_RNA)
where:
Base-Base interactions energy: -111.520
where: short stacking energy: -45.931
Base-Backbone interact. energy: -0.317
local terms energy: -60.344574
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -11.496
flat angles C4'-P-C4' energy: -11.461
flat angles P-C4'-P energy: -7.513
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: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -158.688663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.688663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.688663 (E_RNA)
where:
Base-Base interactions energy: -96.970
where: short stacking energy: -43.937
Base-Backbone interact. energy: 0.974
local terms energy: -62.692983
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -11.744
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: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -171.849456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.849456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.849456 (E_RNA)
where:
Base-Base interactions energy: -99.647
where: short stacking energy: -54.907
Base-Backbone interact. energy: -0.415
local terms energy: -71.786677
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -13.105
tors. eta vs tors. theta energy: -17.767
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: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -156.652953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.652953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.652953 (E_RNA)
where:
Base-Base interactions energy: -97.357
where: short stacking energy: -51.238
Base-Backbone interact. energy: -0.020
local terms energy: -59.275407
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -1.390
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -85.538512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.538512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.538512 (E_RNA)
where:
Base-Base interactions energy: -32.242
where: short stacking energy: -32.242
Base-Backbone interact. energy: -0.177
local terms energy: -53.119209
where:
bonds (distance) C4'-P energy: -8.114
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -7.802
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -8.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -81.882158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.882158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.882158 (E_RNA)
where:
Base-Base interactions energy: -28.289
where: short stacking energy: -24.805
Base-Backbone interact. energy: -0.997
local terms energy: -52.597032
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -8.700
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: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -70.633887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.633887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.633887 (E_RNA)
where:
Base-Base interactions energy: -21.036
where: short stacking energy: -13.160
Base-Backbone interact. energy: -0.228
local terms energy: -49.370177
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -11.153
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: 1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -199.169074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.169074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.169074 (E_RNA)
where:
Base-Base interactions energy: -122.194
where: short stacking energy: -65.115
Base-Backbone interact. energy: -0.105
local terms energy: -76.870148
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -12.621
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: 2, replica: 10
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -194.965356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.965356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.965356 (E_RNA)
where:
Base-Base interactions energy: -122.261
where: short stacking energy: -57.412
Base-Backbone interact. energy: -0.014
local terms energy: -72.690087
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -13.320
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: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -182.956946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.956946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.956946 (E_RNA)
where:
Base-Base interactions energy: -111.404
where: short stacking energy: -59.848
Base-Backbone interact. energy: -0.017
local terms energy: -71.535618
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -176.531526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.531526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.531526 (E_RNA)
where:
Base-Base interactions energy: -113.184
where: short stacking energy: -52.841
Base-Backbone interact. energy: -0.476
local terms energy: -62.871481
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -12.149
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: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -170.629971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.629971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.629971 (E_RNA)
where:
Base-Base interactions energy: -104.994
where: short stacking energy: -55.871
Base-Backbone interact. energy: -0.241
local terms energy: -65.394960
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -12.314
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -10.903
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: 6, replica: 4
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -175.211642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.211642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.211642 (E_RNA)
where:
Base-Base interactions energy: -102.307
where: short stacking energy: -55.201
Base-Backbone interact. energy: 0.231
local terms energy: -73.136461
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -6.839
tors. eta vs tors. theta energy: -18.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -160.055538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.055538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.055538 (E_RNA)
where:
Base-Base interactions energy: -97.899
where: short stacking energy: -43.466
Base-Backbone interact. energy: -0.454
local terms energy: -61.702931
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -11.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -86.952285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.952285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.952285 (E_RNA)
where:
Base-Base interactions energy: -33.970
where: short stacking energy: -18.551
Base-Backbone interact. energy: -0.300
local terms energy: -52.681871
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -7.719
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: 9, replica: 9
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -75.681491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.681491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.681491 (E_RNA)
where:
Base-Base interactions energy: -26.719
where: short stacking energy: -22.718
Base-Backbone interact. energy: -0.708
local terms energy: -48.254503
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: 0.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -76.405701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.405701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.405701 (E_RNA)
where:
Base-Base interactions energy: -35.926
where: short stacking energy: -31.223
Base-Backbone interact. energy: -0.095
local terms energy: -40.384335
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -7.675
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -2.673
tors. eta vs tors. theta energy: -0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -199.890271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.890271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.890271 (E_RNA)
where:
Base-Base interactions energy: -125.052
where: short stacking energy: -58.807
Base-Backbone interact. energy: -0.533
local terms energy: -74.304740
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -16.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -186.890218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.890218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.890218 (E_RNA)
where:
Base-Base interactions energy: -112.223
where: short stacking energy: -58.828
Base-Backbone interact. energy: -1.257
local terms energy: -73.410213
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -19.372
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: 1
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -184.785636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.785636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.785636 (E_RNA)
where:
Base-Base interactions energy: -116.716
where: short stacking energy: -59.726
Base-Backbone interact. energy: -0.069
local terms energy: -68.000790
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -10.734
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: 4, replica: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -174.099277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.099277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.099277 (E_RNA)
where:
Base-Base interactions energy: -103.581
where: short stacking energy: -45.552
Base-Backbone interact. energy: 0.818
local terms energy: -71.336737
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -11.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -165.249211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.249211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.249211 (E_RNA)
where:
Base-Base interactions energy: -94.118
where: short stacking energy: -42.961
Base-Backbone interact. energy: -0.560
local terms energy: -70.570780
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -14.316
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: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -175.934861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.934861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.934861 (E_RNA)
where:
Base-Base interactions energy: -105.419
where: short stacking energy: -49.787
Base-Backbone interact. energy: -0.038
local terms energy: -70.478464
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -16.956
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: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -153.234509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.234509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.234509 (E_RNA)
where:
Base-Base interactions energy: -101.319
where: short stacking energy: -53.215
Base-Backbone interact. energy: -0.242
local terms energy: -51.673892
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -3.132
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: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -85.936913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936913 (E_RNA)
where:
Base-Base interactions energy: -26.180
where: short stacking energy: -24.333
Base-Backbone interact. energy: 0.040
local terms energy: -59.796795
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -75.079463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.079463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.079463 (E_RNA)
where:
Base-Base interactions energy: -27.846
where: short stacking energy: -25.540
Base-Backbone interact. energy: -0.066
local terms energy: -47.167891
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -76.509933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.509933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.509933 (E_RNA)
where:
Base-Base interactions energy: -31.659
where: short stacking energy: -14.055
Base-Backbone interact. energy: -0.115
local terms energy: -44.735743
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -1.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -197.129615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.129615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.129615 (E_RNA)
where:
Base-Base interactions energy: -124.187
where: short stacking energy: -62.013
Base-Backbone interact. energy: -0.243
local terms energy: -72.699740
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -18.092
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: 10
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -191.309315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.309315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.309315 (E_RNA)
where:
Base-Base interactions energy: -123.146
where: short stacking energy: -62.636
Base-Backbone interact. energy: -0.006
local terms energy: -68.157355
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -18.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -193.546583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.546583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.546583 (E_RNA)
where:
Base-Base interactions energy: -117.048
where: short stacking energy: -54.508
Base-Backbone interact. energy: -0.395
local terms energy: -76.104075
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -12.809
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -19.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -172.109788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.109788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.109788 (E_RNA)
where:
Base-Base interactions energy: -106.000
where: short stacking energy: -51.643
Base-Backbone interact. energy: -0.452
local terms energy: -65.657822
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -13.376
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: 8
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -165.901069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.901069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.901069 (E_RNA)
where:
Base-Base interactions energy: -105.081
where: short stacking energy: -46.822
Base-Backbone interact. energy: -0.274
local terms energy: -60.545835
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -7.902
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -18.472
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: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -159.657161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.657161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.657161 (E_RNA)
where:
Base-Base interactions energy: -104.672
where: short stacking energy: -46.385
Base-Backbone interact. energy: -0.191
local terms energy: -54.793193
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -11.747
flat angles C4'-P-C4' energy: -8.559
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -162.805304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.805304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.805304 (E_RNA)
where:
Base-Base interactions energy: -104.063
where: short stacking energy: -54.636
Base-Backbone interact. energy: -0.163
local terms energy: -58.579897
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -14.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -78.309968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.309968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.309968 (E_RNA)
where:
Base-Base interactions energy: -28.071
where: short stacking energy: -28.071
Base-Backbone interact. energy: -0.058
local terms energy: -50.180197
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -79.577359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.577359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.577359 (E_RNA)
where:
Base-Base interactions energy: -29.690
where: short stacking energy: -28.850
Base-Backbone interact. energy: -0.058
local terms energy: -49.829615
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -7.931
tors. eta vs tors. theta energy: -2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -79.896814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.896814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.896814 (E_RNA)
where:
Base-Base interactions energy: -34.050
where: short stacking energy: -21.643
Base-Backbone interact. energy: -0.200
local terms energy: -45.646953
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -9.688
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: 0.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -210.138131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.138131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.138131 (E_RNA)
where:
Base-Base interactions energy: -134.094
where: short stacking energy: -63.443
Base-Backbone interact. energy: -0.119
local terms energy: -75.925382
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -21.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -192.967649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.967649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.967649 (E_RNA)
where:
Base-Base interactions energy: -119.928
where: short stacking energy: -68.118
Base-Backbone interact. energy: -0.129
local terms energy: -72.911446
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -166.612562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.612562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.612562 (E_RNA)
where:
Base-Base interactions energy: -98.087
where: short stacking energy: -54.635
Base-Backbone interact. energy: -0.117
local terms energy: -68.409199
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -10.338
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: 4, replica: 1
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -184.489787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.489787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.489787 (E_RNA)
where:
Base-Base interactions energy: -110.265
where: short stacking energy: -53.484
Base-Backbone interact. energy: -0.053
local terms energy: -74.171603
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -17.901
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: 8
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -187.164553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.164553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.164553 (E_RNA)
where:
Base-Base interactions energy: -126.349
where: short stacking energy: -47.239
Base-Backbone interact. energy: 1.637
local terms energy: -62.452432
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -15.045
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -2.477
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -155.638046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.638046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.638046 (E_RNA)
where:
Base-Base interactions energy: -98.346
where: short stacking energy: -42.238
Base-Backbone interact. energy: -0.404
local terms energy: -56.887578
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -7.084
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: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -171.743200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.743200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.743200 (E_RNA)
where:
Base-Base interactions energy: -104.777
where: short stacking energy: -48.004
Base-Backbone interact. energy: -0.840
local terms energy: -66.126215
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -12.395
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: 8, replica: 7
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -84.120234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.120234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.120234 (E_RNA)
where:
Base-Base interactions energy: -29.325
where: short stacking energy: -29.325
Base-Backbone interact. energy: -0.050
local terms energy: -54.745103
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -2.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -81.007968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.007968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.007968 (E_RNA)
where:
Base-Base interactions energy: -30.306
where: short stacking energy: -28.622
Base-Backbone interact. energy: -0.128
local terms energy: -50.573512
where:
bonds (distance) C4'-P energy: -8.827
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -75.830201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.830201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.830201 (E_RNA)
where:
Base-Base interactions energy: -33.410
where: short stacking energy: -29.386
Base-Backbone interact. energy: -0.136
local terms energy: -42.284663
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -10.044
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -1.267
tors. eta vs tors. theta energy: -4.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -203.846452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.846452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.846452 (E_RNA)
where:
Base-Base interactions energy: -131.342
where: short stacking energy: -64.994
Base-Backbone interact. energy: -0.088
local terms energy: -72.417100
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -13.753
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -11.149
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: 2, replica: 3
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -184.247963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.247963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.247963 (E_RNA)
where:
Base-Base interactions energy: -116.217
where: short stacking energy: -63.916
Base-Backbone interact. energy: -0.065
local terms energy: -67.965838
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -179.500270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.500270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.500270 (E_RNA)
where:
Base-Base interactions energy: -118.446
where: short stacking energy: -48.066
Base-Backbone interact. energy: -0.233
local terms energy: -60.820957
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -9.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -193.068559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.068559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.068559 (E_RNA)
where:
Base-Base interactions energy: -129.386
where: short stacking energy: -56.083
Base-Backbone interact. energy: -0.637
local terms energy: -63.045757
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -13.565
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -186.672310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.672310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.672310 (E_RNA)
where:
Base-Base interactions energy: -120.693
where: short stacking energy: -50.351
Base-Backbone interact. energy: -0.134
local terms energy: -65.845395
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -15.387
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: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -179.004167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.004167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.004167 (E_RNA)
where:
Base-Base interactions energy: -115.930
where: short stacking energy: -58.572
Base-Backbone interact. energy: -1.281
local terms energy: -61.792403
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -13.890
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: 5
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -155.949490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.949490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.949490 (E_RNA)
where:
Base-Base interactions energy: -90.045
where: short stacking energy: -54.406
Base-Backbone interact. energy: 0.093
local terms energy: -65.997069
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -5.983
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: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -78.904728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.904728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.904728 (E_RNA)
where:
Base-Base interactions energy: -28.711
where: short stacking energy: -28.711
Base-Backbone interact. energy: -0.414
local terms energy: -49.779280
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -4.783
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: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -87.046236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.046236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.046236 (E_RNA)
where:
Base-Base interactions energy: -34.216
where: short stacking energy: -34.201
Base-Backbone interact. energy: -0.139
local terms energy: -52.690534
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -76.235179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.235179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.235179 (E_RNA)
where:
Base-Base interactions energy: -22.968
where: short stacking energy: -18.396
Base-Backbone interact. energy: -0.226
local terms energy: -53.041404
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: 0.572
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: 3
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -207.358479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.358479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.358479 (E_RNA)
where:
Base-Base interactions energy: -127.510
where: short stacking energy: -64.071
Base-Backbone interact. energy: -0.002
local terms energy: -79.846476
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -200.397486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.397486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.397486 (E_RNA)
where:
Base-Base interactions energy: -123.649
where: short stacking energy: -59.039
Base-Backbone interact. energy: -0.153
local terms energy: -76.596286
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -21.711
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: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -194.863236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.863236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.863236 (E_RNA)
where:
Base-Base interactions energy: -132.335
where: short stacking energy: -43.461
Base-Backbone interact. energy: -0.447
local terms energy: -62.081453
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -9.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -175.498029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.498029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.498029 (E_RNA)
where:
Base-Base interactions energy: -104.671
where: short stacking energy: -45.378
Base-Backbone interact. energy: -0.359
local terms energy: -70.467971
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -11.984
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: 5, replica: 2
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -179.977182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.977182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.977182 (E_RNA)
where:
Base-Base interactions energy: -114.536
where: short stacking energy: -54.615
Base-Backbone interact. energy: 0.217
local terms energy: -65.658208
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -11.813
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -13.906
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: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -134.528609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.528609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.528609 (E_RNA)
where:
Base-Base interactions energy: -76.314
where: short stacking energy: -36.791
Base-Backbone interact. energy: -0.017
local terms energy: -58.196736
where:
bonds (distance) C4'-P energy: -10.556
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -157.823731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.823731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.823731 (E_RNA)
where:
Base-Base interactions energy: -96.156
where: short stacking energy: -47.119
Base-Backbone interact. energy: -0.285
local terms energy: -61.383383
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -11.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -81.135896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.135896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.135896 (E_RNA)
where:
Base-Base interactions energy: -27.883
where: short stacking energy: -27.547
Base-Backbone interact. energy: -0.048
local terms energy: -53.204574
where:
bonds (distance) C4'-P energy: -9.924
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -10.972
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: 9, replica: 9
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -86.432450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.432450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.432450 (E_RNA)
where:
Base-Base interactions energy: -33.251
where: short stacking energy: -13.765
Base-Backbone interact. energy: -0.131
local terms energy: -53.050439
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -4.099
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: 304
Temperature: 1.350000
Total energy: -82.256822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.256822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.256822 (E_RNA)
where:
Base-Base interactions energy: -21.683
where: short stacking energy: -18.632
Base-Backbone interact. energy: -0.059
local terms energy: -60.514348
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -1.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -202.152060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.152060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.152060 (E_RNA)
where:
Base-Base interactions energy: -131.746
where: short stacking energy: -67.501
Base-Backbone interact. energy: -0.018
local terms energy: -70.388000
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -19.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -194.636934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.636934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.636934 (E_RNA)
where:
Base-Base interactions energy: -118.813
where: short stacking energy: -61.552
Base-Backbone interact. energy: -0.021
local terms energy: -75.803800
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -12.263
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: 3, replica: 10
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -182.156941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.156941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.156941 (E_RNA)
where:
Base-Base interactions energy: -113.689
where: short stacking energy: -46.291
Base-Backbone interact. energy: -0.136
local terms energy: -68.331930
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -14.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -177.626217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.626217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.626217 (E_RNA)
where:
Base-Base interactions energy: -104.889
where: short stacking energy: -55.798
Base-Backbone interact. energy: 0.902
local terms energy: -73.639350
where:
bonds (distance) C4'-P energy: -11.444
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -164.294922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.294922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.294922 (E_RNA)
where:
Base-Base interactions energy: -106.867
where: short stacking energy: -46.706
Base-Backbone interact. energy: -0.675
local terms energy: -56.752980
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -8.003
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -13.019
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: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -166.994024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.994024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.994024 (E_RNA)
where:
Base-Base interactions energy: -96.830
where: short stacking energy: -52.262
Base-Backbone interact. energy: -0.032
local terms energy: -70.131847
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -13.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -132.232249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.232249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.232249 (E_RNA)
where:
Base-Base interactions energy: -74.759
where: short stacking energy: -38.830
Base-Backbone interact. energy: -0.050
local terms energy: -57.423385
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -3.717
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: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -123.872012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.872012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.872012 (E_RNA)
where:
Base-Base interactions energy: -74.934
where: short stacking energy: -43.461
Base-Backbone interact. energy: -0.044
local terms energy: -48.894376
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -9.880
flat angles C4'-P-C4' energy: -9.624
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -7.245
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: 305
Temperature: 1.300000
Total energy: -82.325140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.325140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.325140 (E_RNA)
where:
Base-Base interactions energy: -32.358
where: short stacking energy: -30.796
Base-Backbone interact. energy: -0.234
local terms energy: -49.733437
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -10.500
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: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -74.661122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.661122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.661122 (E_RNA)
where:
Base-Base interactions energy: -30.068
where: short stacking energy: -30.068
Base-Backbone interact. energy: -0.023
local terms energy: -44.570610
where:
bonds (distance) C4'-P energy: -7.488
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -10.936
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -193.079489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.079489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.079489 (E_RNA)
where:
Base-Base interactions energy: -120.882
where: short stacking energy: -57.357
Base-Backbone interact. energy: 0.320
local terms energy: -72.517538
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -194.091044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.091044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.091044 (E_RNA)
where:
Base-Base interactions energy: -116.003
where: short stacking energy: -55.946
Base-Backbone interact. energy: -0.691
local terms energy: -77.397216
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -21.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -197.217324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.217324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.217324 (E_RNA)
where:
Base-Base interactions energy: -122.228
where: short stacking energy: -57.695
Base-Backbone interact. energy: -0.634
local terms energy: -74.355351
where:
bonds (distance) C4'-P energy: -17.315
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -181.021402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.021402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.021402 (E_RNA)
where:
Base-Base interactions energy: -114.777
where: short stacking energy: -47.544
Base-Backbone interact. energy: -0.178
local terms energy: -66.066782
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -11.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -185.718815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.718815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.718815 (E_RNA)
where:
Base-Base interactions energy: -121.682
where: short stacking energy: -58.883
Base-Backbone interact. energy: -0.221
local terms energy: -63.815401
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -16.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -169.124743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.124743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.124743 (E_RNA)
where:
Base-Base interactions energy: -104.371
where: short stacking energy: -49.353
Base-Backbone interact. energy: -0.242
local terms energy: -64.511416
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -12.716
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: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -90.414236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.414236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.414236 (E_RNA)
where:
Base-Base interactions energy: -35.955
where: short stacking energy: -24.001
Base-Backbone interact. energy: -0.910
local terms energy: -53.549651
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -6.801
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: 8, replica: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -76.764571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.764571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.764571 (E_RNA)
where:
Base-Base interactions energy: -34.746
where: short stacking energy: -34.746
Base-Backbone interact. energy: -0.006
local terms energy: -42.013007
where:
bonds (distance) C4'-P energy: -6.932
bonds (distance) P-C4' energy: -8.607
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -6.274
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: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -90.170693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.170693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.170693 (E_RNA)
where:
Base-Base interactions energy: -42.036
where: short stacking energy: -27.522
Base-Backbone interact. energy: -0.022
local terms energy: -48.112570
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -12.544
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -2.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -69.740250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.740250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.740250 (E_RNA)
where:
Base-Base interactions energy: -26.539
where: short stacking energy: -19.259
Base-Backbone interact. energy: -0.058
local terms energy: -43.143568
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -4.513
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: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -207.269255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.269255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.269255 (E_RNA)
where:
Base-Base interactions energy: -138.997
where: short stacking energy: -54.563
Base-Backbone interact. energy: -0.005
local terms energy: -68.267497
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -188.253495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.253495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.253495 (E_RNA)
where:
Base-Base interactions energy: -111.060
where: short stacking energy: -50.264
Base-Backbone interact. energy: -0.007
local terms energy: -77.185900
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -16.986
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: 2
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -190.665867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.665867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.665867 (E_RNA)
where:
Base-Base interactions energy: -123.300
where: short stacking energy: -62.910
Base-Backbone interact. energy: -0.004
local terms energy: -67.361648
where:
bonds (distance) C4'-P energy: -8.350
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -170.514048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.514048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.514048 (E_RNA)
where:
Base-Base interactions energy: -105.794
where: short stacking energy: -61.593
Base-Backbone interact. energy: -0.095
local terms energy: -64.624483
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -11.430
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: 10
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -168.776429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.776429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.776429 (E_RNA)
where:
Base-Base interactions energy: -107.284
where: short stacking energy: -42.651
Base-Backbone interact. energy: -0.151
local terms energy: -61.340846
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -12.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -162.255445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.255445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.255445 (E_RNA)
where:
Base-Base interactions energy: -102.456
where: short stacking energy: -43.460
Base-Backbone interact. energy: -0.080
local terms energy: -59.719148
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -11.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -85.031635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.031635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.031635 (E_RNA)
where:
Base-Base interactions energy: -29.210
where: short stacking energy: -27.984
Base-Backbone interact. energy: -0.108
local terms energy: -55.713107
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -88.527558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.527558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.527558 (E_RNA)
where:
Base-Base interactions energy: -32.146
where: short stacking energy: -30.520
Base-Backbone interact. energy: -0.267
local terms energy: -56.114303
where:
bonds (distance) C4'-P energy: -11.633
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -9.134
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: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -77.631226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.631226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.631226 (E_RNA)
where:
Base-Base interactions energy: -30.469
where: short stacking energy: -26.889
Base-Backbone interact. energy: 1.217
local terms energy: -48.379204
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -9.734
flat angles C4'-P-C4' energy: -9.447
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -79.171311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.171311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.171311 (E_RNA)
where:
Base-Base interactions energy: -35.344
where: short stacking energy: -26.745
Base-Backbone interact. energy: -0.530
local terms energy: -43.297577
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -13.478
flat angles C4'-P-C4' energy: -8.216
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: 0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -196.227892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.227892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.227892 (E_RNA)
where:
Base-Base interactions energy: -124.169
where: short stacking energy: -58.201
Base-Backbone interact. energy: -0.009
local terms energy: -72.049716
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -7.303
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: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -203.429253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.429253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.429253 (E_RNA)
where:
Base-Base interactions energy: -135.579
where: short stacking energy: -51.556
Base-Backbone interact. energy: -0.094
local terms energy: -67.756136
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -12.066
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: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -196.041387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.041387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.041387 (E_RNA)
where:
Base-Base interactions energy: -129.346
where: short stacking energy: -65.617
Base-Backbone interact. energy: -0.134
local terms energy: -66.561475
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -175.441302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.441302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.441302 (E_RNA)
where:
Base-Base interactions energy: -103.346
where: short stacking energy: -59.187
Base-Backbone interact. energy: -0.031
local terms energy: -72.064906
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -10.967
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: 10
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -171.350526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.350526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.350526 (E_RNA)
where:
Base-Base interactions energy: -102.761
where: short stacking energy: -46.146
Base-Backbone interact. energy: -0.721
local terms energy: -67.869424
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -11.444
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -161.004279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.004279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.004279 (E_RNA)
where:
Base-Base interactions energy: -94.815
where: short stacking energy: -48.114
Base-Backbone interact. energy: -0.417
local terms energy: -65.771998
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -14.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -93.451713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.451713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.451713 (E_RNA)
where:
Base-Base interactions energy: -38.817
where: short stacking energy: -34.438
Base-Backbone interact. energy: -0.153
local terms energy: -54.481802
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -11.903
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -7.213
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: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -84.057173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.057173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.057173 (E_RNA)
where:
Base-Base interactions energy: -43.738
where: short stacking energy: -27.890
Base-Backbone interact. energy: -0.108
local terms energy: -40.211542
where:
bonds (distance) C4'-P energy: -5.136
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -85.681903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.681903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.681903 (E_RNA)
where:
Base-Base interactions energy: -29.810
where: short stacking energy: -29.224
Base-Backbone interact. energy: -0.160
local terms energy: -55.711846
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -9.920
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: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -73.727819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.727819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.727819 (E_RNA)
where:
Base-Base interactions energy: -23.732
where: short stacking energy: -23.607
Base-Backbone interact. energy: -0.190
local terms energy: -49.805923
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -12.565
flat angles P-C4'-P energy: -3.367
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: 1, replica: 8
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -200.337832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.337832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.337832 (E_RNA)
where:
Base-Base interactions energy: -128.754
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.001
local terms energy: -71.583199
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -14.334
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -10.016
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: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -192.209227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.209227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.209227 (E_RNA)
where:
Base-Base interactions energy: -123.233
where: short stacking energy: -65.230
Base-Backbone interact. energy: -0.122
local terms energy: -68.854349
where:
bonds (distance) C4'-P energy: -10.406
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -17.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -202.522426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.522426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.522426 (E_RNA)
where:
Base-Base interactions energy: -133.881
where: short stacking energy: -56.092
Base-Backbone interact. energy: -0.197
local terms energy: -68.444734
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -194.455371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.455371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.455371 (E_RNA)
where:
Base-Base interactions energy: -117.727
where: short stacking energy: -58.961
Base-Backbone interact. energy: -1.058
local terms energy: -75.670432
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -18.383
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: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -172.773219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.773219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.773219 (E_RNA)
where:
Base-Base interactions energy: -112.391
where: short stacking energy: -43.838
Base-Backbone interact. energy: 0.013
local terms energy: -60.395996
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -12.941
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -11.003
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: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -97.902736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.902736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.902736 (E_RNA)
where:
Base-Base interactions energy: -41.585
where: short stacking energy: -28.135
Base-Backbone interact. energy: -0.205
local terms energy: -56.113325
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -10.029
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: 7, replica: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -143.130998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.130998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.130998 (E_RNA)
where:
Base-Base interactions energy: -80.310
where: short stacking energy: -40.496
Base-Backbone interact. energy: -0.104
local terms energy: -62.717581
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -11.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -95.561073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.561073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.561073 (E_RNA)
where:
Base-Base interactions energy: -38.032
where: short stacking energy: -36.137
Base-Backbone interact. energy: -0.016
local terms energy: -57.512661
where:
bonds (distance) C4'-P energy: -11.158
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -74.498843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.498843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.498843 (E_RNA)
where:
Base-Base interactions energy: -24.211
where: short stacking energy: -24.211
Base-Backbone interact. energy: -0.036
local terms energy: -50.251541
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -2.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -81.233191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.233191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.233191 (E_RNA)
where:
Base-Base interactions energy: -28.192
where: short stacking energy: -28.192
Base-Backbone interact. energy: -0.099
local terms energy: -52.942626
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -9.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -202.812679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.812679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.812679 (E_RNA)
where:
Base-Base interactions energy: -121.013
where: short stacking energy: -64.001
Base-Backbone interact. energy: -0.059
local terms energy: -81.741044
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -22.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -196.037391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.037391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.037391 (E_RNA)
where:
Base-Base interactions energy: -121.236
where: short stacking energy: -66.789
Base-Backbone interact. energy: -0.140
local terms energy: -74.661715
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -12.783
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: 3, replica: 3
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -194.871561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.871561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.871561 (E_RNA)
where:
Base-Base interactions energy: -124.485
where: short stacking energy: -60.130
Base-Backbone interact. energy: 0.344
local terms energy: -70.730481
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -17.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -188.869679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.869679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.869679 (E_RNA)
where:
Base-Base interactions energy: -124.427
where: short stacking energy: -53.087
Base-Backbone interact. energy: -0.008
local terms energy: -64.435376
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -8.916
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -13.631
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: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -174.460800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.460800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.460800 (E_RNA)
where:
Base-Base interactions energy: -109.889
where: short stacking energy: -53.479
Base-Backbone interact. energy: -0.471
local terms energy: -64.100381
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -13.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -87.165100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.165100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.165100 (E_RNA)
where:
Base-Base interactions energy: -32.931
where: short stacking energy: -16.479
Base-Backbone interact. energy: -0.249
local terms energy: -53.985466
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -10.023
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: 7, replica: 4
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -144.518787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.518787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.518787 (E_RNA)
where:
Base-Base interactions energy: -85.009
where: short stacking energy: -40.709
Base-Backbone interact. energy: -0.451
local terms energy: -59.058638
where:
bonds (distance) C4'-P energy: -7.475
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -9.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -94.941959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.941959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.941959 (E_RNA)
where:
Base-Base interactions energy: -37.886
where: short stacking energy: -33.311
Base-Backbone interact. energy: -0.231
local terms energy: -56.825438
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -12.929
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: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -70.994632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.994632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.994632 (E_RNA)
where:
Base-Base interactions energy: -16.192
where: short stacking energy: -16.192
Base-Backbone interact. energy: -0.107
local terms energy: -54.695535
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -8.113
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -3.068
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: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -78.643335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.643335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.643335 (E_RNA)
where:
Base-Base interactions energy: -24.688
where: short stacking energy: -19.762
Base-Backbone interact. energy: -0.352
local terms energy: -53.603950
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -205.391495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.391495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.391495 (E_RNA)
where:
Base-Base interactions energy: -123.562
where: short stacking energy: -64.360
Base-Backbone interact. energy: -0.000
local terms energy: -81.828935
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -20.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -198.289895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.289895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.289895 (E_RNA)
where:
Base-Base interactions energy: -124.305
where: short stacking energy: -58.481
Base-Backbone interact. energy: -0.036
local terms energy: -73.948603
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -187.308702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.308702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.308702 (E_RNA)
where:
Base-Base interactions energy: -118.151
where: short stacking energy: -67.087
Base-Backbone interact. energy: -0.003
local terms energy: -69.154289
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -5.806
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: 4, replica: 5
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -180.019079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.019079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.019079 (E_RNA)
where:
Base-Base interactions energy: -108.365
where: short stacking energy: -59.388
Base-Backbone interact. energy: -0.120
local terms energy: -71.534329
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -167.162577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.162577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.162577 (E_RNA)
where:
Base-Base interactions energy: -99.214
where: short stacking energy: -50.862
Base-Backbone interact. energy: -0.101
local terms energy: -67.847429
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -16.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -163.528540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.528540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.528540 (E_RNA)
where:
Base-Base interactions energy: -106.610
where: short stacking energy: -42.233
Base-Backbone interact. energy: -0.188
local terms energy: -56.731175
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -103.364029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.364029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.364029 (E_RNA)
where:
Base-Base interactions energy: -40.031
where: short stacking energy: -38.815
Base-Backbone interact. energy: -0.020
local terms energy: -63.312600
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -13.636
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -12.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -81.912210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.912210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.912210 (E_RNA)
where:
Base-Base interactions energy: -36.441
where: short stacking energy: -23.833
Base-Backbone interact. energy: -0.067
local terms energy: -45.404281
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -7.751
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -1.342
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: 1
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -77.352307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.352307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.352307 (E_RNA)
where:
Base-Base interactions energy: -26.001
where: short stacking energy: -26.001
Base-Backbone interact. energy: -0.261
local terms energy: -51.090261
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -86.462965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.462965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.462965 (E_RNA)
where:
Base-Base interactions energy: -25.808
where: short stacking energy: -25.808
Base-Backbone interact. energy: -0.016
local terms energy: -60.639412
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -12.831
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -10.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -189.790085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.790085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.790085 (E_RNA)
where:
Base-Base interactions energy: -121.941
where: short stacking energy: -51.458
Base-Backbone interact. energy: -0.285
local terms energy: -67.563469
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -10.564
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: 312
Temperature: 0.950000
Total energy: -209.107501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.107501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.107501 (E_RNA)
where:
Base-Base interactions energy: -133.065
where: short stacking energy: -55.816
Base-Backbone interact. energy: -0.350
local terms energy: -75.692538
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -188.715840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.715840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.715840 (E_RNA)
where:
Base-Base interactions energy: -121.529
where: short stacking energy: -61.310
Base-Backbone interact. energy: -1.040
local terms energy: -66.147610
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -13.049
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -16.053
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: 312
Temperature: 1.050000
Total energy: -197.948732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.948732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.948732 (E_RNA)
where:
Base-Base interactions energy: -133.126
where: short stacking energy: -60.864
Base-Backbone interact. energy: -0.036
local terms energy: -64.786602
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -16.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -168.439753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.439753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.439753 (E_RNA)
where:
Base-Base interactions energy: -100.697
where: short stacking energy: -39.447
Base-Backbone interact. energy: 0.232
local terms energy: -67.975084
where:
bonds (distance) C4'-P energy: -16.130
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -15.016
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: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -187.018984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.018984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.018984 (E_RNA)
where:
Base-Base interactions energy: -111.506
where: short stacking energy: -64.465
Base-Backbone interact. energy: 0.395
local terms energy: -75.907437
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -91.522887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.522887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.522887 (E_RNA)
where:
Base-Base interactions energy: -38.744
where: short stacking energy: -37.954
Base-Backbone interact. energy: -0.045
local terms energy: -52.734527
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -82.011085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.011085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.011085 (E_RNA)
where:
Base-Base interactions energy: -33.375
where: short stacking energy: -33.213
Base-Backbone interact. energy: -0.214
local terms energy: -48.422269
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -4.248
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: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -71.502234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.502234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.502234 (E_RNA)
where:
Base-Base interactions energy: -22.647
where: short stacking energy: -22.647
Base-Backbone interact. energy: -0.023
local terms energy: -48.832463
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -4.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -75.963411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.963411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.963411 (E_RNA)
where:
Base-Base interactions energy: -23.014
where: short stacking energy: -23.000
Base-Backbone interact. energy: -0.807
local terms energy: -52.142420
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -7.211
tors. eta vs tors. theta energy: -1.866
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: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -191.340289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.340289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.340289 (E_RNA)
where:
Base-Base interactions energy: -124.605
where: short stacking energy: -57.577
Base-Backbone interact. energy: -0.290
local terms energy: -66.445284
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -10.360
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: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -191.076932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.076932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.076932 (E_RNA)
where:
Base-Base interactions energy: -115.743
where: short stacking energy: -57.940
Base-Backbone interact. energy: -0.365
local terms energy: -74.968399
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -181.276753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.276753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.276753 (E_RNA)
where:
Base-Base interactions energy: -107.029
where: short stacking energy: -49.508
Base-Backbone interact. energy: -1.053
local terms energy: -73.195402
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -174.509625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.509625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.509625 (E_RNA)
where:
Base-Base interactions energy: -104.411
where: short stacking energy: -51.593
Base-Backbone interact. energy: -0.215
local terms energy: -69.883920
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -146.439523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.439523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.439523 (E_RNA)
where:
Base-Base interactions energy: -94.189
where: short stacking energy: -35.102
Base-Backbone interact. energy: 1.228
local terms energy: -53.478230
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -6.170
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: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -172.192442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.192442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.192442 (E_RNA)
where:
Base-Base interactions energy: -112.168
where: short stacking energy: -46.018
Base-Backbone interact. energy: -0.101
local terms energy: -59.923291
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -6.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -82.044865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.044865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.044865 (E_RNA)
where:
Base-Base interactions energy: -26.844
where: short stacking energy: -24.430
Base-Backbone interact. energy: 2.794
local terms energy: -57.994766
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -4.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -84.950371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.950371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.950371 (E_RNA)
where:
Base-Base interactions energy: -36.677
where: short stacking energy: -30.459
Base-Backbone interact. energy: -0.413
local terms energy: -47.860762
where:
bonds (distance) C4'-P energy: -14.720
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -4.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -77.960967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.960967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.960967 (E_RNA)
where:
Base-Base interactions energy: -23.993
where: short stacking energy: -23.855
Base-Backbone interact. energy: -0.276
local terms energy: -53.692411
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -10.856
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -84.675376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.675376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.675376 (E_RNA)
where:
Base-Base interactions energy: -38.461
where: short stacking energy: -28.267
Base-Backbone interact. energy: 0.319
local terms energy: -46.533069
where:
bonds (distance) C4'-P energy: -8.406
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -204.660624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.660624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.660624 (E_RNA)
where:
Base-Base interactions energy: -130.284
where: short stacking energy: -65.487
Base-Backbone interact. energy: -0.026
local terms energy: -74.351233
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -19.186
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: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -207.309752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.309752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.309752 (E_RNA)
where:
Base-Base interactions energy: -134.190
where: short stacking energy: -58.580
Base-Backbone interact. energy: -0.005
local terms energy: -73.114414
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -187.407854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.407854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.407854 (E_RNA)
where:
Base-Base interactions energy: -119.718
where: short stacking energy: -56.804
Base-Backbone interact. energy: -0.249
local terms energy: -67.440997
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -11.632
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: 4, replica: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -181.653216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.653216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.653216 (E_RNA)
where:
Base-Base interactions energy: -108.546
where: short stacking energy: -56.955
Base-Backbone interact. energy: -0.430
local terms energy: -72.678024
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -161.861548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.861548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.861548 (E_RNA)
where:
Base-Base interactions energy: -98.324
where: short stacking energy: -44.575
Base-Backbone interact. energy: -0.011
local terms energy: -63.526779
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -8.658
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -14.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -147.184270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.184270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.184270 (E_RNA)
where:
Base-Base interactions energy: -82.359
where: short stacking energy: -39.926
Base-Backbone interact. energy: 1.363
local terms energy: -66.187905
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -9.860
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: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -98.022978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.022978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.022978 (E_RNA)
where:
Base-Base interactions energy: -41.035
where: short stacking energy: -31.608
Base-Backbone interact. energy: 0.011
local terms energy: -56.998603
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -79.835461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.835461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.835461 (E_RNA)
where:
Base-Base interactions energy: -27.385
where: short stacking energy: -22.391
Base-Backbone interact. energy: 0.240
local terms energy: -52.691107
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -10.057
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -135.803162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.803162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.803162 (E_RNA)
where:
Base-Base interactions energy: -78.869
where: short stacking energy: -36.618
Base-Backbone interact. energy: -0.205
local terms energy: -56.729107
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -7.184
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: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -73.883347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.883347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.883347 (E_RNA)
where:
Base-Base interactions energy: -25.840
where: short stacking energy: -22.647
Base-Backbone interact. energy: -0.221
local terms energy: -47.823311
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -4.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -208.423162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.423162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.423162 (E_RNA)
where:
Base-Base interactions energy: -130.881
where: short stacking energy: -64.310
Base-Backbone interact. energy: -0.049
local terms energy: -77.492547
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -202.188560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.188560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.188560 (E_RNA)
where:
Base-Base interactions energy: -133.927
where: short stacking energy: -57.451
Base-Backbone interact. energy: -0.112
local terms energy: -68.149669
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -16.644
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: 3
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -181.667993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.667993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.667993 (E_RNA)
where:
Base-Base interactions energy: -112.372
where: short stacking energy: -59.090
Base-Backbone interact. energy: -0.539
local terms energy: -68.757272
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -191.259895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.259895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.259895 (E_RNA)
where:
Base-Base interactions energy: -122.723
where: short stacking energy: -54.343
Base-Backbone interact. energy: -0.001
local terms energy: -68.536796
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -9.679
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: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -136.812494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.812494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.812494 (E_RNA)
where:
Base-Base interactions energy: -77.083
where: short stacking energy: -35.656
Base-Backbone interact. energy: -0.626
local terms energy: -59.103451
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -156.279791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.279791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.279791 (E_RNA)
where:
Base-Base interactions energy: -93.123
where: short stacking energy: -49.704
Base-Backbone interact. energy: 0.107
local terms energy: -63.263669
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -11.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -98.995462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.995462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.995462 (E_RNA)
where:
Base-Base interactions energy: -49.445
where: short stacking energy: -40.477
Base-Backbone interact. energy: 0.305
local terms energy: -49.855915
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -9.786
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -77.843934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.843934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.843934 (E_RNA)
where:
Base-Base interactions energy: -29.949
where: short stacking energy: -26.752
Base-Backbone interact. energy: 0.853
local terms energy: -48.747704
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -1.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -78.853126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.853126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.853126 (E_RNA)
where:
Base-Base interactions energy: -30.665
where: short stacking energy: -25.436
Base-Backbone interact. energy: -0.044
local terms energy: -48.143924
where:
bonds (distance) C4'-P energy: -8.409
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -3.995
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: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -79.382905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.382905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.382905 (E_RNA)
where:
Base-Base interactions energy: -30.809
where: short stacking energy: -29.131
Base-Backbone interact. energy: -0.375
local terms energy: -48.199149
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -9.279
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: 0.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -205.489929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.489929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.489929 (E_RNA)
where:
Base-Base interactions energy: -132.017
where: short stacking energy: -58.308
Base-Backbone interact. energy: -0.089
local terms energy: -73.383900
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -188.385790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.385790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.385790 (E_RNA)
where:
Base-Base interactions energy: -119.884
where: short stacking energy: -59.195
Base-Backbone interact. energy: 1.504
local terms energy: -70.005631
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -205.096188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.096188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.096188 (E_RNA)
where:
Base-Base interactions energy: -136.593
where: short stacking energy: -57.733
Base-Backbone interact. energy: -0.003
local terms energy: -68.499826
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -15.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -176.998537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.998537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.998537 (E_RNA)
where:
Base-Base interactions energy: -107.341
where: short stacking energy: -47.708
Base-Backbone interact. energy: -0.467
local terms energy: -69.190279
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -150.558997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.558997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.558997 (E_RNA)
where:
Base-Base interactions energy: -88.098
where: short stacking energy: -36.003
Base-Backbone interact. energy: -0.280
local terms energy: -62.181133
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -147.706392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.706392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.706392 (E_RNA)
where:
Base-Base interactions energy: -96.424
where: short stacking energy: -47.488
Base-Backbone interact. energy: -0.283
local terms energy: -50.999204
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -11.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -87.698421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.698421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.698421 (E_RNA)
where:
Base-Base interactions energy: -42.865
where: short stacking energy: -35.648
Base-Backbone interact. energy: 1.697
local terms energy: -46.530765
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -9.002
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -92.939478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.939478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.939478 (E_RNA)
where:
Base-Base interactions energy: -34.274
where: short stacking energy: -29.818
Base-Backbone interact. energy: -0.331
local terms energy: -58.333930
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -10.112
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: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -88.379589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.379589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.379589 (E_RNA)
where:
Base-Base interactions energy: -45.451
where: short stacking energy: -30.599
Base-Backbone interact. energy: 0.181
local terms energy: -43.109523
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -9.102
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -6.036
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: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -75.115929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.115929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.115929 (E_RNA)
where:
Base-Base interactions energy: -24.276
where: short stacking energy: -22.119
Base-Backbone interact. energy: 0.108
local terms energy: -50.948271
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -1.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -201.957997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.957997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.957997 (E_RNA)
where:
Base-Base interactions energy: -127.018
where: short stacking energy: -63.108
Base-Backbone interact. energy: -2.579
local terms energy: -72.360918
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -20.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -193.566324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.566324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.566324 (E_RNA)
where:
Base-Base interactions energy: -125.746
where: short stacking energy: -52.916
Base-Backbone interact. energy: -0.521
local terms energy: -67.300006
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -185.825535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.825535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.825535 (E_RNA)
where:
Base-Base interactions energy: -121.385
where: short stacking energy: -55.859
Base-Backbone interact. energy: -0.057
local terms energy: -64.384194
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -6.726
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -7.668
tors. eta vs tors. theta energy: -17.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -169.416172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.416172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.416172 (E_RNA)
where:
Base-Base interactions energy: -108.798
where: short stacking energy: -49.585
Base-Backbone interact. energy: -0.251
local terms energy: -60.367159
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -6.833
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -15.991
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: 5, replica: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -184.818751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.818751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.818751 (E_RNA)
where:
Base-Base interactions energy: -109.991
where: short stacking energy: -60.294
Base-Backbone interact. energy: -1.364
local terms energy: -73.463682
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -10.448
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: 6, replica: 4
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -148.052122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.052122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.052122 (E_RNA)
where:
Base-Base interactions energy: -85.885
where: short stacking energy: -34.435
Base-Backbone interact. energy: -0.094
local terms energy: -62.072568
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -11.597
tors. eta vs tors. theta energy: -9.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -89.046448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.046448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.046448 (E_RNA)
where:
Base-Base interactions energy: -35.318
where: short stacking energy: -35.318
Base-Backbone interact. energy: -0.274
local terms energy: -53.454936
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -5.884
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: 1
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -95.022393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.022393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.022393 (E_RNA)
where:
Base-Base interactions energy: -37.973
where: short stacking energy: -29.803
Base-Backbone interact. energy: -0.011
local terms energy: -57.038611
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -4.926
tors. eta vs tors. theta energy: -4.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -79.081734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.081734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.081734 (E_RNA)
where:
Base-Base interactions energy: -29.021
where: short stacking energy: -28.294
Base-Backbone interact. energy: 1.981
local terms energy: -52.041999
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -5.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -76.970159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.970159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.970159 (E_RNA)
where:
Base-Base interactions energy: -34.364
where: short stacking energy: -24.577
Base-Backbone interact. energy: -0.097
local terms energy: -42.508822
where:
bonds (distance) C4'-P energy: -9.316
bonds (distance) P-C4' energy: -8.468
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: 0.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -201.735075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.735075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.735075 (E_RNA)
where:
Base-Base interactions energy: -123.622
where: short stacking energy: -59.496
Base-Backbone interact. energy: -0.007
local terms energy: -78.106021
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -18.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -190.742776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.742776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.742776 (E_RNA)
where:
Base-Base interactions energy: -121.662
where: short stacking energy: -59.359
Base-Backbone interact. energy: -0.188
local terms energy: -68.893109
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -190.112132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.112132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.112132 (E_RNA)
where:
Base-Base interactions energy: -118.459
where: short stacking energy: -55.811
Base-Backbone interact. energy: -0.005
local terms energy: -71.648336
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -19.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -178.457185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.457185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.457185 (E_RNA)
where:
Base-Base interactions energy: -115.615
where: short stacking energy: -46.848
Base-Backbone interact. energy: 0.344
local terms energy: -63.186076
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -175.420099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.420099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.420099 (E_RNA)
where:
Base-Base interactions energy: -118.031
where: short stacking energy: -53.259
Base-Backbone interact. energy: -0.094
local terms energy: -57.295031
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -150.331873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.331873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.331873 (E_RNA)
where:
Base-Base interactions energy: -88.611
where: short stacking energy: -42.850
Base-Backbone interact. energy: -0.101
local terms energy: -61.619610
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -6.668
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: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -100.313140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.313140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.313140 (E_RNA)
where:
Base-Base interactions energy: -43.830
where: short stacking energy: -39.317
Base-Backbone interact. energy: -0.790
local terms energy: -55.693414
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -12.477
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -11.229
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: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -95.571879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.571879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.571879 (E_RNA)
where:
Base-Base interactions energy: -44.712
where: short stacking energy: -39.115
Base-Backbone interact. energy: -0.154
local terms energy: -50.705419
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -2.391
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: 318
Temperature: 1.300000
Total energy: -83.561176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.561176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.561176 (E_RNA)
where:
Base-Base interactions energy: -28.593
where: short stacking energy: -18.685
Base-Backbone interact. energy: -0.049
local terms energy: -54.919962
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -1.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -78.169764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.169764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.169764 (E_RNA)
where:
Base-Base interactions energy: -31.470
where: short stacking energy: -16.416
Base-Backbone interact. energy: -0.839
local terms energy: -45.861069
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -5.817
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: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -206.919049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.919049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.919049 (E_RNA)
where:
Base-Base interactions energy: -140.364
where: short stacking energy: -62.274
Base-Backbone interact. energy: -0.633
local terms energy: -65.922430
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -8.586
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: 2, replica: 10
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -197.784112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.784112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.784112 (E_RNA)
where:
Base-Base interactions energy: -122.744
where: short stacking energy: -60.999
Base-Backbone interact. energy: -0.763
local terms energy: -74.276703
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -187.476061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.476061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.476061 (E_RNA)
where:
Base-Base interactions energy: -119.407
where: short stacking energy: -61.462
Base-Backbone interact. energy: -0.127
local terms energy: -67.942042
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -181.534902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.534902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.534902 (E_RNA)
where:
Base-Base interactions energy: -109.394
where: short stacking energy: -52.476
Base-Backbone interact. energy: -0.112
local terms energy: -72.029112
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -19.138
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -14.639
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: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -171.535843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.535843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.535843 (E_RNA)
where:
Base-Base interactions energy: -112.599
where: short stacking energy: -58.986
Base-Backbone interact. energy: -0.313
local terms energy: -58.623030
where:
bonds (distance) C4'-P energy: -8.534
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -2.943
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -178.590455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.590455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.590455 (E_RNA)
where:
Base-Base interactions energy: -118.513
where: short stacking energy: -56.523
Base-Backbone interact. energy: -0.078
local terms energy: -59.999417
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -11.697
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -87.717742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.717742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.717742 (E_RNA)
where:
Base-Base interactions energy: -37.872
where: short stacking energy: -34.541
Base-Backbone interact. energy: 0.217
local terms energy: -50.062933
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -81.974079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.974079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.974079 (E_RNA)
where:
Base-Base interactions energy: -31.855
where: short stacking energy: -31.677
Base-Backbone interact. energy: 1.219
local terms energy: -51.338741
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -9.059
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -6.147
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: 9, replica: 9
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -77.900566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.900566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.900566 (E_RNA)
where:
Base-Base interactions energy: -22.114
where: short stacking energy: -22.814
Base-Backbone interact. energy: -0.695
local terms energy: -55.091088
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -88.913524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.913524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.913524 (E_RNA)
where:
Base-Base interactions energy: -30.593
where: short stacking energy: -27.429
Base-Backbone interact. energy: -0.008
local terms energy: -58.312578
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -5.450
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: 1, replica: 10
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -201.054546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.054546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.054546 (E_RNA)
where:
Base-Base interactions energy: -122.866
where: short stacking energy: -63.496
Base-Backbone interact. energy: -0.645
local terms energy: -77.543033
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -201.970069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.970069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.970069 (E_RNA)
where:
Base-Base interactions energy: -129.394
where: short stacking energy: -55.826
Base-Backbone interact. energy: -1.639
local terms energy: -70.937329
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -14.254
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: 3
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -194.117163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.117163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.117163 (E_RNA)
where:
Base-Base interactions energy: -122.366
where: short stacking energy: -64.498
Base-Backbone interact. energy: -0.123
local terms energy: -71.628721
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -16.645
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: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -183.244501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.244501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.244501 (E_RNA)
where:
Base-Base interactions energy: -117.765
where: short stacking energy: -58.883
Base-Backbone interact. energy: -0.195
local terms energy: -65.284598
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -15.840
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: 4
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -175.584303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.584303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.584303 (E_RNA)
where:
Base-Base interactions energy: -118.043
where: short stacking energy: -57.789
Base-Backbone interact. energy: -0.005
local terms energy: -57.537119
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -8.674
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -173.400202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.400202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.400202 (E_RNA)
where:
Base-Base interactions energy: -111.016
where: short stacking energy: -45.916
Base-Backbone interact. energy: -0.051
local terms energy: -62.333289
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -12.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -87.278955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.278955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.278955 (E_RNA)
where:
Base-Base interactions energy: -35.005
where: short stacking energy: -27.447
Base-Backbone interact. energy: -0.194
local terms energy: -52.080676
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -2.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -78.779819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.779819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.779819 (E_RNA)
where:
Base-Base interactions energy: -28.662
where: short stacking energy: -20.500
Base-Backbone interact. energy: -0.192
local terms energy: -49.925734
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -79.939873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.939873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.939873 (E_RNA)
where:
Base-Base interactions energy: -35.338
where: short stacking energy: -30.136
Base-Backbone interact. energy: -1.444
local terms energy: -43.158108
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: 0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -77.482075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.482075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.482075 (E_RNA)
where:
Base-Base interactions energy: -23.003
where: short stacking energy: -23.003
Base-Backbone interact. energy: -0.218
local terms energy: -54.261190
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -9.371
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: 1, replica: 10
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -210.726979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.726979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.726979 (E_RNA)
where:
Base-Base interactions energy: -133.390
where: short stacking energy: -63.150
Base-Backbone interact. energy: -0.025
local terms energy: -77.311606
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -204.747168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.747168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.747168 (E_RNA)
where:
Base-Base interactions energy: -131.950
where: short stacking energy: -58.304
Base-Backbone interact. energy: -0.007
local terms energy: -72.789864
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -197.239516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.239516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.239516 (E_RNA)
where:
Base-Base interactions energy: -131.080
where: short stacking energy: -49.607
Base-Backbone interact. energy: -0.601
local terms energy: -65.558910
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -186.922223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.922223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.922223 (E_RNA)
where:
Base-Base interactions energy: -115.592
where: short stacking energy: -56.334
Base-Backbone interact. energy: -0.001
local terms energy: -71.328834
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -12.299
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: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -185.508038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.508038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.508038 (E_RNA)
where:
Base-Base interactions energy: -119.701
where: short stacking energy: -60.011
Base-Backbone interact. energy: -0.053
local terms energy: -65.753375
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -13.662
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: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -153.679864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.679864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.679864 (E_RNA)
where:
Base-Base interactions energy: -94.922
where: short stacking energy: -44.851
Base-Backbone interact. energy: -0.052
local terms energy: -58.705779
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -11.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -89.509707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.509707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.509707 (E_RNA)
where:
Base-Base interactions energy: -35.252
where: short stacking energy: -31.115
Base-Backbone interact. energy: 0.974
local terms energy: -55.230992
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -85.921782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.921782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.921782 (E_RNA)
where:
Base-Base interactions energy: -35.189
where: short stacking energy: -34.742
Base-Backbone interact. energy: -0.584
local terms energy: -50.149493
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -1.593
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: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -75.542641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.542641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.542641 (E_RNA)
where:
Base-Base interactions energy: -27.509
where: short stacking energy: -21.957
Base-Backbone interact. energy: -0.101
local terms energy: -47.932257
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -0.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -77.131232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.131232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.131232 (E_RNA)
where:
Base-Base interactions energy: -28.969
where: short stacking energy: -26.900
Base-Backbone interact. energy: -0.220
local terms energy: -47.942965
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -1.041
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: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -204.514500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.514500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.514500 (E_RNA)
where:
Base-Base interactions energy: -124.592
where: short stacking energy: -55.137
Base-Backbone interact. energy: -0.554
local terms energy: -79.369011
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -18.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -196.181807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.181807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.181807 (E_RNA)
where:
Base-Base interactions energy: -126.366
where: short stacking energy: -61.510
Base-Backbone interact. energy: -0.005
local terms energy: -69.810767
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -15.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -196.980831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.980831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.980831 (E_RNA)
where:
Base-Base interactions energy: -122.820
where: short stacking energy: -64.368
Base-Backbone interact. energy: -0.020
local terms energy: -74.140660
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -7.392
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: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -176.512082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.512082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.512082 (E_RNA)
where:
Base-Base interactions energy: -106.688
where: short stacking energy: -46.747
Base-Backbone interact. energy: -0.139
local terms energy: -69.684772
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -175.956577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.956577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.956577 (E_RNA)
where:
Base-Base interactions energy: -106.894
where: short stacking energy: -50.408
Base-Backbone interact. energy: -0.640
local terms energy: -68.422111
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -13.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -184.288297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.288297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.288297 (E_RNA)
where:
Base-Base interactions energy: -112.036
where: short stacking energy: -50.700
Base-Backbone interact. energy: -0.601
local terms energy: -71.651837
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -14.141
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: 7
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -90.518334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.518334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.518334 (E_RNA)
where:
Base-Base interactions energy: -37.759
where: short stacking energy: -36.323
Base-Backbone interact. energy: -0.086
local terms energy: -52.673099
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -12.064
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -82.861711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.861711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.861711 (E_RNA)
where:
Base-Base interactions energy: -36.781
where: short stacking energy: -25.865
Base-Backbone interact. energy: -0.200
local terms energy: -45.881031
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -4.389
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: 9, replica: 9
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -76.918650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.918650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.918650 (E_RNA)
where:
Base-Base interactions energy: -28.338
where: short stacking energy: -21.852
Base-Backbone interact. energy: 1.869
local terms energy: -50.449869
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -77.260865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.260865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.260865 (E_RNA)
where:
Base-Base interactions energy: -31.100
where: short stacking energy: -24.450
Base-Backbone interact. energy: -0.726
local terms energy: -45.434428
where:
bonds (distance) C4'-P energy: -8.742
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -3.994
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: 323
Temperature: 0.900000
Total energy: -199.094963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.094963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.094963 (E_RNA)
where:
Base-Base interactions energy: -126.309
where: short stacking energy: -63.632
Base-Backbone interact. energy: -0.004
local terms energy: -72.782614
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -16.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -202.593249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.593249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.593249 (E_RNA)
where:
Base-Base interactions energy: -134.126
where: short stacking energy: -59.784
Base-Backbone interact. energy: 0.291
local terms energy: -68.758157
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -15.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -187.744302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.744302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.744302 (E_RNA)
where:
Base-Base interactions energy: -115.768
where: short stacking energy: -55.294
Base-Backbone interact. energy: -0.004
local terms energy: -71.972357
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -8.587
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: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -182.551466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.551466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.551466 (E_RNA)
where:
Base-Base interactions energy: -116.637
where: short stacking energy: -55.020
Base-Backbone interact. energy: -0.044
local terms energy: -65.870555
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -180.448852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.448852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.448852 (E_RNA)
where:
Base-Base interactions energy: -114.112
where: short stacking energy: -57.496
Base-Backbone interact. energy: -0.137
local terms energy: -66.200772
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -16.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -163.168312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.168312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.168312 (E_RNA)
where:
Base-Base interactions energy: -100.711
where: short stacking energy: -51.272
Base-Backbone interact. energy: 0.309
local terms energy: -62.765694
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -15.037
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -92.038585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.038585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.038585 (E_RNA)
where:
Base-Base interactions energy: -37.594
where: short stacking energy: -26.489
Base-Backbone interact. energy: -0.071
local terms energy: -54.372984
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -9.095
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: 8, replica: 9
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -82.110200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.110200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.110200 (E_RNA)
where:
Base-Base interactions energy: -35.042
where: short stacking energy: -33.719
Base-Backbone interact. energy: -0.010
local terms energy: -47.057737
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -3.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -81.983016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.983016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.983016 (E_RNA)
where:
Base-Base interactions energy: -33.157
where: short stacking energy: -33.157
Base-Backbone interact. energy: 0.054
local terms energy: -48.880061
where:
bonds (distance) C4'-P energy: -9.398
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -11.287
flat angles P-C4'-P energy: -5.190
tors. eta vs tors. theta energy: -8.011
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: 6
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -81.962263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.962263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.962263 (E_RNA)
where:
Base-Base interactions energy: -27.246
where: short stacking energy: -27.246
Base-Backbone interact. energy: -0.021
local terms energy: -54.695353
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -5.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -197.689303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.689303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.689303 (E_RNA)
where:
Base-Base interactions energy: -121.213
where: short stacking energy: -65.662
Base-Backbone interact. energy: -0.570
local terms energy: -75.906560
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -192.656570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.656570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.656570 (E_RNA)
where:
Base-Base interactions energy: -118.655
where: short stacking energy: -54.830
Base-Backbone interact. energy: -0.078
local terms energy: -73.923648
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -156.812969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.812969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.812969 (E_RNA)
where:
Base-Base interactions energy: -87.444
where: short stacking energy: -44.726
Base-Backbone interact. energy: -0.169
local terms energy: -69.199744
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -11.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -181.875097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.875097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.875097 (E_RNA)
where:
Base-Base interactions energy: -112.118
where: short stacking energy: -52.191
Base-Backbone interact. energy: -0.123
local terms energy: -69.633211
where:
bonds (distance) C4'-P energy: -10.788
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -15.025
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: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -183.542062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.542062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.542062 (E_RNA)
where:
Base-Base interactions energy: -119.072
where: short stacking energy: -52.782
Base-Backbone interact. energy: -0.016
local terms energy: -64.453873
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -6.516
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -173.901935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.901935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.901935 (E_RNA)
where:
Base-Base interactions energy: -113.454
where: short stacking energy: -60.323
Base-Backbone interact. energy: -0.098
local terms energy: -60.349557
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -14.533
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: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -75.826354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.826354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.826354 (E_RNA)
where:
Base-Base interactions energy: -22.616
where: short stacking energy: -22.204
Base-Backbone interact. energy: -0.303
local terms energy: -52.906598
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -9.917
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -5.600
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: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -89.605608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.605608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.605608 (E_RNA)
where:
Base-Base interactions energy: -36.212
where: short stacking energy: -35.860
Base-Backbone interact. energy: -0.331
local terms energy: -53.062717
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -6.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -79.724510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.724510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.724510 (E_RNA)
where:
Base-Base interactions energy: -27.146
where: short stacking energy: -27.146
Base-Backbone interact. energy: -0.027
local terms energy: -52.551740
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -10.717
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: 324
Temperature: 1.350000
Total energy: -74.481790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.481790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.481790 (E_RNA)
where:
Base-Base interactions energy: -22.877
where: short stacking energy: -22.877
Base-Backbone interact. energy: -0.583
local terms energy: -51.020931
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -8.278
flat angles P-C4'-P energy: -8.789
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: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -208.218368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.218368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.218368 (E_RNA)
where:
Base-Base interactions energy: -139.167
where: short stacking energy: -66.609
Base-Backbone interact. energy: 0.321
local terms energy: -69.372416
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -184.260794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.260794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.260794 (E_RNA)
where:
Base-Base interactions energy: -116.278
where: short stacking energy: -59.390
Base-Backbone interact. energy: -0.010
local terms energy: -67.971977
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -14.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -187.522149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.522149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.522149 (E_RNA)
where:
Base-Base interactions energy: -114.469
where: short stacking energy: -56.535
Base-Backbone interact. energy: -0.025
local terms energy: -73.027970
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -20.773
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: 325
Temperature: 1.050000
Total energy: -178.293245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.293245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.293245 (E_RNA)
where:
Base-Base interactions energy: -108.196
where: short stacking energy: -57.901
Base-Backbone interact. energy: -0.311
local terms energy: -69.786319
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -14.561
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: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -160.078594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.078594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.078594 (E_RNA)
where:
Base-Base interactions energy: -87.228
where: short stacking energy: -46.381
Base-Backbone interact. energy: -0.424
local terms energy: -72.427337
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -18.058
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: 5
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -172.492597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.492597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.492597 (E_RNA)
where:
Base-Base interactions energy: -104.358
where: short stacking energy: -45.658
Base-Backbone interact. energy: -0.013
local terms energy: -68.121523
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -8.861
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: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -92.521739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.521739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.521739 (E_RNA)
where:
Base-Base interactions energy: -32.454
where: short stacking energy: -32.619
Base-Backbone interact. energy: -0.148
local terms energy: -59.918774
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -12.984
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: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -78.888398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.888398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.888398 (E_RNA)
where:
Base-Base interactions energy: -29.317
where: short stacking energy: -23.420
Base-Backbone interact. energy: -0.019
local terms energy: -49.553249
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -88.663907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.663907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.663907 (E_RNA)
where:
Base-Base interactions energy: -34.136
where: short stacking energy: -25.660
Base-Backbone interact. energy: 0.548
local terms energy: -55.075713
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -83.812593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.812593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.812593 (E_RNA)
where:
Base-Base interactions energy: -32.931
where: short stacking energy: -31.733
Base-Backbone interact. energy: 1.866
local terms energy: -52.747143
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -5.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -204.728357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.728357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.728357 (E_RNA)
where:
Base-Base interactions energy: -130.410
where: short stacking energy: -65.451
Base-Backbone interact. energy: 0.336
local terms energy: -74.654315
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -20.164
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: 2, replica: 3
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -192.993865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.993865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.993865 (E_RNA)
where:
Base-Base interactions energy: -128.065
where: short stacking energy: -58.548
Base-Backbone interact. energy: -0.055
local terms energy: -64.874082
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -15.960
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: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -203.131566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.131566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.131566 (E_RNA)
where:
Base-Base interactions energy: -124.168
where: short stacking energy: -65.264
Base-Backbone interact. energy: 0.832
local terms energy: -79.794964
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -22.007
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: 326
Temperature: 1.050000
Total energy: -192.377084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.377084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.377084 (E_RNA)
where:
Base-Base interactions energy: -116.792
where: short stacking energy: -60.052
Base-Backbone interact. energy: -0.084
local terms energy: -75.500923
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -16.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -173.641543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.641543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.641543 (E_RNA)
where:
Base-Base interactions energy: -108.397
where: short stacking energy: -51.283
Base-Backbone interact. energy: -0.420
local terms energy: -64.824412
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -8.782
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -14.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -166.329643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.329643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.329643 (E_RNA)
where:
Base-Base interactions energy: -104.199
where: short stacking energy: -45.813
Base-Backbone interact. energy: -0.445
local terms energy: -61.685972
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -8.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -92.400954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.400954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.400954 (E_RNA)
where:
Base-Base interactions energy: -38.199
where: short stacking energy: -33.911
Base-Backbone interact. energy: -0.233
local terms energy: -53.969387
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -3.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -78.466714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.466714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.466714 (E_RNA)
where:
Base-Base interactions energy: -27.495
where: short stacking energy: -21.724
Base-Backbone interact. energy: 0.416
local terms energy: -51.388211
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -6.764
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: 9, replica: 1
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -80.200825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.200825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.200825 (E_RNA)
where:
Base-Base interactions energy: -25.475
where: short stacking energy: -25.475
Base-Backbone interact. energy: 1.429
local terms energy: -56.154714
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -11.268
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: 326
Temperature: 1.350000
Total energy: -77.190459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.190459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.190459 (E_RNA)
where:
Base-Base interactions energy: -28.446
where: short stacking energy: -24.226
Base-Backbone interact. energy: -0.097
local terms energy: -48.647719
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -9.676
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -11.745
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: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -205.851994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.851994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.851994 (E_RNA)
where:
Base-Base interactions energy: -125.024
where: short stacking energy: -57.293
Base-Backbone interact. energy: -1.115
local terms energy: -79.713302
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.713
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -14.486
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: 2, replica: 3
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -175.258108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.258108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.258108 (E_RNA)
where:
Base-Base interactions energy: -111.356
where: short stacking energy: -60.050
Base-Backbone interact. energy: -0.007
local terms energy: -63.895627
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -9.742
tors. eta vs tors. theta energy: -10.654
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: 3, replica: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -180.057460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.057460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.057460 (E_RNA)
where:
Base-Base interactions energy: -111.278
where: short stacking energy: -50.944
Base-Backbone interact. energy: -0.561
local terms energy: -68.218507
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -175.950683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.950683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.950683 (E_RNA)
where:
Base-Base interactions energy: -105.406
where: short stacking energy: -53.257
Base-Backbone interact. energy: -0.001
local terms energy: -70.543601
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -181.163341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.163341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.163341 (E_RNA)
where:
Base-Base interactions energy: -110.411
where: short stacking energy: -53.035
Base-Backbone interact. energy: -0.154
local terms energy: -70.599180
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -17.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -170.521699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.521699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.521699 (E_RNA)
where:
Base-Base interactions energy: -103.046
where: short stacking energy: -52.037
Base-Backbone interact. energy: -0.007
local terms energy: -67.468566
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -12.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -100.676427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.676427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.676427 (E_RNA)
where:
Base-Base interactions energy: -49.095
where: short stacking energy: -37.568
Base-Backbone interact. energy: -0.309
local terms energy: -51.272878
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -4.346
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: 8, replica: 1
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -99.732088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.732088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.732088 (E_RNA)
where:
Base-Base interactions energy: -54.737
where: short stacking energy: -34.528
Base-Backbone interact. energy: -0.022
local terms energy: -44.973845
where:
bonds (distance) C4'-P energy: -9.760
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -84.996046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.996046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.996046 (E_RNA)
where:
Base-Base interactions energy: -38.132
where: short stacking energy: -34.824
Base-Backbone interact. energy: 0.874
local terms energy: -47.737479
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -11.016
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: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -75.750485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.750485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.750485 (E_RNA)
where:
Base-Base interactions energy: -31.341
where: short stacking energy: -23.826
Base-Backbone interact. energy: -0.454
local terms energy: -43.955961
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -4.230
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: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -215.864002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.864002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.864002 (E_RNA)
where:
Base-Base interactions energy: -138.708
where: short stacking energy: -73.628
Base-Backbone interact. energy: -0.002
local terms energy: -77.153707
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -178.193366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.193366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.193366 (E_RNA)
where:
Base-Base interactions energy: -103.872
where: short stacking energy: -53.853
Base-Backbone interact. energy: -0.027
local terms energy: -74.294542
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -10.462
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: 3, replica: 5
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -189.933007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.933007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.933007 (E_RNA)
where:
Base-Base interactions energy: -117.172
where: short stacking energy: -58.731
Base-Backbone interact. energy: -0.905
local terms energy: -71.856243
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -7.238
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: 4, replica: 10
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -174.939832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.939832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.939832 (E_RNA)
where:
Base-Base interactions energy: -110.971
where: short stacking energy: -54.456
Base-Backbone interact. energy: -0.141
local terms energy: -63.827480
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -6.148
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: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -172.832655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.832655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.832655 (E_RNA)
where:
Base-Base interactions energy: -105.506
where: short stacking energy: -45.026
Base-Backbone interact. energy: -0.180
local terms energy: -67.146074
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -140.298926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.298926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.298926 (E_RNA)
where:
Base-Base interactions energy: -82.145
where: short stacking energy: -35.755
Base-Backbone interact. energy: -0.445
local terms energy: -57.708800
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -13.079
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -11.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -98.931481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.931481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.931481 (E_RNA)
where:
Base-Base interactions energy: -40.235
where: short stacking energy: -39.821
Base-Backbone interact. energy: -0.035
local terms energy: -58.661625
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -11.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -80.307758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.307758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.307758 (E_RNA)
where:
Base-Base interactions energy: -32.352
where: short stacking energy: -24.136
Base-Backbone interact. energy: 1.689
local terms energy: -49.645366
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -1.616
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: 9
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -78.232091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.232091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.232091 (E_RNA)
where:
Base-Base interactions energy: -26.471
where: short stacking energy: -26.471
Base-Backbone interact. energy: 0.573
local terms energy: -52.334490
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -5.521
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: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -73.212747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.212747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.212747 (E_RNA)
where:
Base-Base interactions energy: -27.732
where: short stacking energy: -26.648
Base-Backbone interact. energy: -0.110
local terms energy: -45.370058
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: 0.505
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: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -212.583129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.583129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.583129 (E_RNA)
where:
Base-Base interactions energy: -136.395
where: short stacking energy: -66.506
Base-Backbone interact. energy: -0.003
local terms energy: -76.185155
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -19.924
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: 5
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -194.701906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.701906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.701906 (E_RNA)
where:
Base-Base interactions energy: -125.015
where: short stacking energy: -55.046
Base-Backbone interact. energy: -0.275
local terms energy: -69.412010
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -7.346
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: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -188.931388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.931388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.931388 (E_RNA)
where:
Base-Base interactions energy: -122.477
where: short stacking energy: -54.071
Base-Backbone interact. energy: -0.011
local terms energy: -66.444069
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -187.380517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.380517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.380517 (E_RNA)
where:
Base-Base interactions energy: -111.703
where: short stacking energy: -55.805
Base-Backbone interact. energy: -0.041
local terms energy: -75.636226
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -10.342
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: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -164.187518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.187518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.187518 (E_RNA)
where:
Base-Base interactions energy: -92.366
where: short stacking energy: -40.912
Base-Backbone interact. energy: -0.131
local terms energy: -71.691173
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -12.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -169.568004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.568004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.568004 (E_RNA)
where:
Base-Base interactions energy: -94.467
where: short stacking energy: -47.653
Base-Backbone interact. energy: -0.577
local terms energy: -74.523272
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: -17.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -96.282073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.282073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.282073 (E_RNA)
where:
Base-Base interactions energy: -42.680
where: short stacking energy: -41.696
Base-Backbone interact. energy: -0.024
local terms energy: -53.577788
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -5.934
flat angles P-C4'-P energy: -7.158
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: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -86.524066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.524066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.524066 (E_RNA)
where:
Base-Base interactions energy: -27.741
where: short stacking energy: -15.409
Base-Backbone interact. energy: -0.119
local terms energy: -58.663606
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -1.618
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: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -92.387183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.387183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.387183 (E_RNA)
where:
Base-Base interactions energy: -39.323
where: short stacking energy: -31.657
Base-Backbone interact. energy: -0.019
local terms energy: -53.045051
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -10.460
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -4.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -78.473806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.473806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.473806 (E_RNA)
where:
Base-Base interactions energy: -28.266
where: short stacking energy: -28.266
Base-Backbone interact. energy: -0.102
local terms energy: -50.106468
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: -2.550
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: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -213.341767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.341767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.341767 (E_RNA)
where:
Base-Base interactions energy: -139.780
where: short stacking energy: -60.130
Base-Backbone interact. energy: -0.003
local terms energy: -73.558356
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -11.782
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: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -182.294629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.294629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.294629 (E_RNA)
where:
Base-Base interactions energy: -111.097
where: short stacking energy: -56.706
Base-Backbone interact. energy: -1.037
local terms energy: -70.161526
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -11.758
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: 3, replica: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -194.159016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.159016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.159016 (E_RNA)
where:
Base-Base interactions energy: -122.014
where: short stacking energy: -63.861
Base-Backbone interact. energy: -1.238
local terms energy: -70.906836
where:
bonds (distance) C4'-P energy: -10.519
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -179.731140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.731140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.731140 (E_RNA)
where:
Base-Base interactions energy: -111.840
where: short stacking energy: -50.112
Base-Backbone interact. energy: -0.690
local terms energy: -67.201465
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -11.960
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: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -168.204412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.204412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.204412 (E_RNA)
where:
Base-Base interactions energy: -101.548
where: short stacking energy: -40.816
Base-Backbone interact. energy: -0.034
local terms energy: -66.621951
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -150.754618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.754618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.754618 (E_RNA)
where:
Base-Base interactions energy: -88.420
where: short stacking energy: -39.494
Base-Backbone interact. energy: -0.601
local terms energy: -61.732750
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -9.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -83.577840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.577840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.577840 (E_RNA)
where:
Base-Base interactions energy: -31.885
where: short stacking energy: -30.534
Base-Backbone interact. energy: -0.102
local terms energy: -51.591107
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -87.213393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.213393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.213393 (E_RNA)
where:
Base-Base interactions energy: -30.694
where: short stacking energy: -30.694
Base-Backbone interact. energy: -0.257
local terms energy: -56.262213
where:
bonds (distance) C4'-P energy: -10.600
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -10.466
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -7.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -87.278120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.278120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.278120 (E_RNA)
where:
Base-Base interactions energy: -29.116
where: short stacking energy: -28.533
Base-Backbone interact. energy: 0.098
local terms energy: -58.259949
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -78.225886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.225886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.225886 (E_RNA)
where:
Base-Base interactions energy: -25.477
where: short stacking energy: -20.836
Base-Backbone interact. energy: -0.036
local terms energy: -52.713585
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -0.877
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -216.204253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.204253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.204253 (E_RNA)
where:
Base-Base interactions energy: -136.046
where: short stacking energy: -63.151
Base-Backbone interact. energy: -1.612
local terms energy: -78.547002
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -13.884
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -21.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -193.546971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.546971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.546971 (E_RNA)
where:
Base-Base interactions energy: -120.268
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.490
local terms energy: -72.788911
where:
bonds (distance) C4'-P energy: -11.506
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -18.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -199.542496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.542496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.542496 (E_RNA)
where:
Base-Base interactions energy: -130.492
where: short stacking energy: -66.225
Base-Backbone interact. energy: -0.066
local terms energy: -68.984864
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -13.147
flat angles P-C4'-P energy: -11.369
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: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -174.478334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.478334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.478334 (E_RNA)
where:
Base-Base interactions energy: -107.561
where: short stacking energy: -50.516
Base-Backbone interact. energy: 0.919
local terms energy: -67.836442
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -12.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -174.347200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.347200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.347200 (E_RNA)
where:
Base-Base interactions energy: -114.835
where: short stacking energy: -53.260
Base-Backbone interact. energy: -0.146
local terms energy: -59.366073
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -13.820
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: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -157.007227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.007227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.007227 (E_RNA)
where:
Base-Base interactions energy: -101.900
where: short stacking energy: -46.170
Base-Backbone interact. energy: -0.402
local terms energy: -54.705392
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -9.968
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -11.833
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: 7, replica: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -75.096211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.096211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.096211 (E_RNA)
where:
Base-Base interactions energy: -19.943
where: short stacking energy: -19.383
Base-Backbone interact. energy: -0.366
local terms energy: -54.787230
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -5.676
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: 8, replica: 1
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -99.634777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.634777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.634777 (E_RNA)
where:
Base-Base interactions energy: -53.658
where: short stacking energy: -38.070
Base-Backbone interact. energy: -0.356
local terms energy: -45.620952
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -11.160
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -7.750
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: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -80.938381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.938381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.938381 (E_RNA)
where:
Base-Base interactions energy: -29.617
where: short stacking energy: -28.990
Base-Backbone interact. energy: 0.572
local terms energy: -51.893511
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -10.218
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -69.843422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.843422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.843422 (E_RNA)
where:
Base-Base interactions energy: -21.092
where: short stacking energy: -16.925
Base-Backbone interact. energy: -0.020
local terms energy: -48.732017
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -10.636
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -210.976816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.976816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.976816 (E_RNA)
where:
Base-Base interactions energy: -135.031
where: short stacking energy: -69.412
Base-Backbone interact. energy: -0.002
local terms energy: -75.943817
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -21.563
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: 3
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -194.633081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.633081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.633081 (E_RNA)
where:
Base-Base interactions energy: -119.752
where: short stacking energy: -58.684
Base-Backbone interact. energy: -0.091
local terms energy: -74.789254
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -187.622773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.622773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.622773 (E_RNA)
where:
Base-Base interactions energy: -123.709
where: short stacking energy: -53.304
Base-Backbone interact. energy: -0.148
local terms energy: -63.765902
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -9.758
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: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -189.442766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.442766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.442766 (E_RNA)
where:
Base-Base interactions energy: -123.290
where: short stacking energy: -56.509
Base-Backbone interact. energy: -0.006
local terms energy: -66.146651
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -16.449
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: 5, replica: 4
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -168.956158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.956158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.956158 (E_RNA)
where:
Base-Base interactions energy: -101.280
where: short stacking energy: -48.324
Base-Backbone interact. energy: -0.086
local terms energy: -67.590093
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -12.053
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: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -165.858468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.858468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.858468 (E_RNA)
where:
Base-Base interactions energy: -96.932
where: short stacking energy: -44.812
Base-Backbone interact. energy: -0.066
local terms energy: -68.860101
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -14.693
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: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -89.682465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.682465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.682465 (E_RNA)
where:
Base-Base interactions energy: -29.780
where: short stacking energy: -27.124
Base-Backbone interact. energy: -0.095
local terms energy: -59.807722
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -6.960
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: 332
Temperature: 1.250000
Total energy: -89.270938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.270938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.270938 (E_RNA)
where:
Base-Base interactions energy: -50.591
where: short stacking energy: -26.393
Base-Backbone interact. energy: 0.026
local terms energy: -38.705492
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -8.231
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -1.947
tors. eta vs tors. theta energy: -1.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -70.702779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.702779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.702779 (E_RNA)
where:
Base-Base interactions energy: -19.787
where: short stacking energy: -19.787
Base-Backbone interact. energy: -0.099
local terms energy: -50.817451
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -5.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -78.650993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.650993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.650993 (E_RNA)
where:
Base-Base interactions energy: -24.687
where: short stacking energy: -18.396
Base-Backbone interact. energy: -0.020
local terms energy: -53.943666
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -214.911679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.911679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.911679 (E_RNA)
where:
Base-Base interactions energy: -134.519
where: short stacking energy: -64.181
Base-Backbone interact. energy: -1.086
local terms energy: -79.306041
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -18.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -195.730725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.730725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.730725 (E_RNA)
where:
Base-Base interactions energy: -122.105
where: short stacking energy: -62.491
Base-Backbone interact. energy: -0.120
local terms energy: -73.505374
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -16.766
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: 3
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -196.930160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.930160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.930160 (E_RNA)
where:
Base-Base interactions energy: -122.462
where: short stacking energy: -52.225
Base-Backbone interact. energy: -1.626
local terms energy: -72.842056
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -17.484
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: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -197.228134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.228134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.228134 (E_RNA)
where:
Base-Base interactions energy: -120.628
where: short stacking energy: -63.410
Base-Backbone interact. energy: 1.279
local terms energy: -77.879076
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -20.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -185.966414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.966414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.966414 (E_RNA)
where:
Base-Base interactions energy: -119.104
where: short stacking energy: -56.618
Base-Backbone interact. energy: 0.679
local terms energy: -67.541806
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -13.680
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: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -156.929676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.929676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.929676 (E_RNA)
where:
Base-Base interactions energy: -99.695
where: short stacking energy: -48.802
Base-Backbone interact. energy: -0.142
local terms energy: -57.092644
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -10.582
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: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -97.766156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.766156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.766156 (E_RNA)
where:
Base-Base interactions energy: -44.368
where: short stacking energy: -43.177
Base-Backbone interact. energy: -0.472
local terms energy: -52.926189
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -89.349136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.349136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.349136 (E_RNA)
where:
Base-Base interactions energy: -43.333
where: short stacking energy: -39.663
Base-Backbone interact. energy: -0.081
local terms energy: -45.935351
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -9.878
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -2.990
tors. eta vs tors. theta energy: -5.532
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: 1
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -84.889656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.889656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.889656 (E_RNA)
where:
Base-Base interactions energy: -31.276
where: short stacking energy: -29.110
Base-Backbone interact. energy: 0.979
local terms energy: -54.592583
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -1.447
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: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -81.624202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.624202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.624202 (E_RNA)
where:
Base-Base interactions energy: -37.962
where: short stacking energy: -17.277
Base-Backbone interact. energy: -0.321
local terms energy: -43.341236
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -5.338
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -201.753900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.753900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.753900 (E_RNA)
where:
Base-Base interactions energy: -126.334
where: short stacking energy: -54.842
Base-Backbone interact. energy: -0.152
local terms energy: -75.267503
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -11.537
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: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -196.494896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.494896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.494896 (E_RNA)
where:
Base-Base interactions energy: -126.789
where: short stacking energy: -63.279
Base-Backbone interact. energy: -0.009
local terms energy: -69.696812
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -186.291613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.291613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.291613 (E_RNA)
where:
Base-Base interactions energy: -114.298
where: short stacking energy: -60.440
Base-Backbone interact. energy: -1.237
local terms energy: -70.756366
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -188.032279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.032279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.032279 (E_RNA)
where:
Base-Base interactions energy: -120.611
where: short stacking energy: -53.220
Base-Backbone interact. energy: -0.004
local terms energy: -67.417348
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -19.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -164.550565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.550565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.550565 (E_RNA)
where:
Base-Base interactions energy: -99.765
where: short stacking energy: -42.115
Base-Backbone interact. energy: -0.122
local terms energy: -64.663608
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -8.046
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: 334
Temperature: 1.150000
Total energy: -158.435671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.435671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.435671 (E_RNA)
where:
Base-Base interactions energy: -96.555
where: short stacking energy: -47.489
Base-Backbone interact. energy: -1.148
local terms energy: -60.732254
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -13.347
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -8.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -98.281275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.281275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.281275 (E_RNA)
where:
Base-Base interactions energy: -43.282
where: short stacking energy: -28.342
Base-Backbone interact. energy: -0.040
local terms energy: -54.959892
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -7.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -81.238578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.238578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.238578 (E_RNA)
where:
Base-Base interactions energy: -32.649
where: short stacking energy: -29.019
Base-Backbone interact. energy: -0.357
local terms energy: -48.232536
where:
bonds (distance) C4'-P energy: -11.032
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -4.558
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: 9, replica: 1
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -80.367745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.367745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.367745 (E_RNA)
where:
Base-Base interactions energy: -34.212
where: short stacking energy: -28.999
Base-Backbone interact. energy: -0.110
local terms energy: -46.046060
where:
bonds (distance) C4'-P energy: -8.371
bonds (distance) P-C4' energy: -8.299
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -9.471
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: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -76.564627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.564627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.564627 (E_RNA)
where:
Base-Base interactions energy: -32.530
where: short stacking energy: -32.530
Base-Backbone interact. energy: -0.078
local terms energy: -43.957335
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -3.004
tors. eta vs tors. theta energy: -0.438
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: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -201.668112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.668112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.668112 (E_RNA)
where:
Base-Base interactions energy: -127.564
where: short stacking energy: -66.699
Base-Backbone interact. energy: -0.004
local terms energy: -74.100391
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -11.842
flat angles P-C4'-P energy: -12.622
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: 335
Temperature: 0.950000
Total energy: -202.065451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.065451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.065451 (E_RNA)
where:
Base-Base interactions energy: -136.626
where: short stacking energy: -61.427
Base-Backbone interact. energy: -0.240
local terms energy: -65.199120
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -13.720
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: 4
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -183.414292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.414292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.414292 (E_RNA)
where:
Base-Base interactions energy: -112.992
where: short stacking energy: -53.321
Base-Backbone interact. energy: -0.029
local terms energy: -70.393394
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -15.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -196.296619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.296619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.296619 (E_RNA)
where:
Base-Base interactions energy: -131.177
where: short stacking energy: -59.006
Base-Backbone interact. energy: -0.290
local terms energy: -64.829312
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -13.308
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: 10
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -142.842235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.842235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.842235 (E_RNA)
where:
Base-Base interactions energy: -81.601
where: short stacking energy: -38.544
Base-Backbone interact. energy: -0.111
local terms energy: -61.130631
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -6.246
tors. eta vs tors. theta energy: -15.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -163.735623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.735623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.735623 (E_RNA)
where:
Base-Base interactions energy: -94.707
where: short stacking energy: -51.805
Base-Backbone interact. energy: -0.073
local terms energy: -68.955648
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -13.404
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: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -89.385333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.385333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.385333 (E_RNA)
where:
Base-Base interactions energy: -32.068
where: short stacking energy: -30.112
Base-Backbone interact. energy: -0.071
local terms energy: -57.247089
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -90.457386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.457386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.457386 (E_RNA)
where:
Base-Base interactions energy: -35.872
where: short stacking energy: -33.719
Base-Backbone interact. energy: -0.009
local terms energy: -54.576707
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -10.949
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: 9, replica: 9
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -73.404233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.404233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.404233 (E_RNA)
where:
Base-Base interactions energy: -15.937
where: short stacking energy: -15.937
Base-Backbone interact. energy: 0.257
local terms energy: -57.724156
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -12.806
tors. eta vs tors. theta energy: -3.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -85.161850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.161850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.161850 (E_RNA)
where:
Base-Base interactions energy: -37.782
where: short stacking energy: -36.710
Base-Backbone interact. energy: -0.033
local terms energy: -47.346416
where:
bonds (distance) C4'-P energy: -9.634
bonds (distance) P-C4' energy: -9.714
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -7.314
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: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -204.706648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.706648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.706648 (E_RNA)
where:
Base-Base interactions energy: -132.617
where: short stacking energy: -64.223
Base-Backbone interact. energy: -0.001
local terms energy: -72.088135
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -10.003
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: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -191.798292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.798292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.798292 (E_RNA)
where:
Base-Base interactions energy: -115.331
where: short stacking energy: -54.634
Base-Backbone interact. energy: -0.343
local terms energy: -76.124014
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -181.451427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.451427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.451427 (E_RNA)
where:
Base-Base interactions energy: -117.876
where: short stacking energy: -53.289
Base-Backbone interact. energy: -0.169
local terms energy: -63.406589
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -186.942171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.942171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.942171 (E_RNA)
where:
Base-Base interactions energy: -111.191
where: short stacking energy: -57.212
Base-Backbone interact. energy: -0.688
local terms energy: -75.063530
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -163.700199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.700199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.700199 (E_RNA)
where:
Base-Base interactions energy: -99.015
where: short stacking energy: -50.458
Base-Backbone interact. energy: -0.235
local terms energy: -64.450560
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -9.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -152.407192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.407192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.407192 (E_RNA)
where:
Base-Base interactions energy: -90.839
where: short stacking energy: -48.710
Base-Backbone interact. energy: -1.223
local terms energy: -60.345253
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -14.485
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -78.465211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.465211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.465211 (E_RNA)
where:
Base-Base interactions energy: -27.692
where: short stacking energy: -24.674
Base-Backbone interact. energy: -0.036
local terms energy: -50.737490
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: 0.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -86.218386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.218386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.218386 (E_RNA)
where:
Base-Base interactions energy: -36.802
where: short stacking energy: -35.005
Base-Backbone interact. energy: -0.064
local terms energy: -49.351790
where:
bonds (distance) C4'-P energy: -9.983
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -5.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -77.944926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.944926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.944926 (E_RNA)
where:
Base-Base interactions energy: -32.680
where: short stacking energy: -24.275
Base-Backbone interact. energy: -0.339
local terms energy: -44.925207
where:
bonds (distance) C4'-P energy: -8.241
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -8.993
flat angles P-C4'-P energy: -8.207
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: 10, replica: 9
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -77.397788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.397788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.397788 (E_RNA)
where:
Base-Base interactions energy: -32.957
where: short stacking energy: -30.111
Base-Backbone interact. energy: -0.100
local terms energy: -44.340507
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -10.996
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -1.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -206.528543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.528543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.528543 (E_RNA)
where:
Base-Base interactions energy: -128.777
where: short stacking energy: -70.698
Base-Backbone interact. energy: -0.540
local terms energy: -77.211346
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -21.978
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: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -183.894514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.894514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.894514 (E_RNA)
where:
Base-Base interactions energy: -110.484
where: short stacking energy: -56.959
Base-Backbone interact. energy: -1.295
local terms energy: -72.116027
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -18.386
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: 3, replica: 4
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -166.882683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.882683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.882683 (E_RNA)
where:
Base-Base interactions energy: -112.187
where: short stacking energy: -51.196
Base-Backbone interact. energy: -0.379
local terms energy: -54.316754
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -9.291
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -180.763787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.763787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.763787 (E_RNA)
where:
Base-Base interactions energy: -116.908
where: short stacking energy: -52.901
Base-Backbone interact. energy: -0.800
local terms energy: -63.055118
where:
bonds (distance) C4'-P energy: -9.677
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -15.983
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: 3
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -177.125332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.125332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.125332 (E_RNA)
where:
Base-Base interactions energy: -113.663
where: short stacking energy: -51.331
Base-Backbone interact. energy: 1.645
local terms energy: -65.107473
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -11.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -169.984028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.984028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.984028 (E_RNA)
where:
Base-Base interactions energy: -103.629
where: short stacking energy: -50.922
Base-Backbone interact. energy: -0.064
local terms energy: -66.291325
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -90.251656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.251656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.251656 (E_RNA)
where:
Base-Base interactions energy: -45.876
where: short stacking energy: -41.767
Base-Backbone interact. energy: -0.025
local terms energy: -44.351439
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -9.321
flat angles C4'-P-C4' energy: -11.286
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -79.325460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.325460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.325460 (E_RNA)
where:
Base-Base interactions energy: -25.999
where: short stacking energy: -26.799
Base-Backbone interact. energy: -0.902
local terms energy: -52.425303
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -80.823129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.823129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.823129 (E_RNA)
where:
Base-Base interactions energy: -29.580
where: short stacking energy: -23.817
Base-Backbone interact. energy: -0.040
local terms energy: -51.202232
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -5.083
tors. eta vs tors. theta energy: -2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -90.767096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.767096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.767096 (E_RNA)
where:
Base-Base interactions energy: -45.707
where: short stacking energy: -33.302
Base-Backbone interact. energy: 0.389
local terms energy: -45.448778
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -8.041
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: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -189.113359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.113359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.113359 (E_RNA)
where:
Base-Base interactions energy: -115.111
where: short stacking energy: -55.928
Base-Backbone interact. energy: -0.173
local terms energy: -73.830057
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -198.108310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.108310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.108310 (E_RNA)
where:
Base-Base interactions energy: -126.975
where: short stacking energy: -67.078
Base-Backbone interact. energy: -0.781
local terms energy: -70.352280
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -7.664
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: 3, replica: 5
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -202.492174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.492174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.492174 (E_RNA)
where:
Base-Base interactions energy: -130.112
where: short stacking energy: -68.455
Base-Backbone interact. energy: -0.201
local terms energy: -72.179229
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -160.794462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.794462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.794462 (E_RNA)
where:
Base-Base interactions energy: -94.914
where: short stacking energy: -37.006
Base-Backbone interact. energy: -0.801
local terms energy: -65.079298
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -167.324983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.324983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.324983 (E_RNA)
where:
Base-Base interactions energy: -102.629
where: short stacking energy: -43.405
Base-Backbone interact. energy: -0.213
local terms energy: -64.483600
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -9.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -169.446705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.446705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.446705 (E_RNA)
where:
Base-Base interactions energy: -101.158
where: short stacking energy: -44.210
Base-Backbone interact. energy: -0.275
local terms energy: -68.013725
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -7.640
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: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -89.154225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.154225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.154225 (E_RNA)
where:
Base-Base interactions energy: -28.797
where: short stacking energy: -28.797
Base-Backbone interact. energy: -0.057
local terms energy: -60.300446
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -5.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -96.401091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.401091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.401091 (E_RNA)
where:
Base-Base interactions energy: -36.574
where: short stacking energy: -35.628
Base-Backbone interact. energy: -0.100
local terms energy: -59.727370
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -7.735
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: 9
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -75.027159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.027159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.027159 (E_RNA)
where:
Base-Base interactions energy: -26.683
where: short stacking energy: -26.683
Base-Backbone interact. energy: -0.157
local terms energy: -48.186487
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: 1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -72.783428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.783428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.783428 (E_RNA)
where:
Base-Base interactions energy: -26.596
where: short stacking energy: -22.504
Base-Backbone interact. energy: 0.197
local terms energy: -46.385147
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -2.967
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -6.635
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: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -199.039841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.039841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.039841 (E_RNA)
where:
Base-Base interactions energy: -127.893
where: short stacking energy: -63.814
Base-Backbone interact. energy: -0.262
local terms energy: -70.885594
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -16.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -195.822688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.822688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.822688 (E_RNA)
where:
Base-Base interactions energy: -118.180
where: short stacking energy: -63.198
Base-Backbone interact. energy: -0.002
local terms energy: -77.640824
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -184.087716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.087716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.087716 (E_RNA)
where:
Base-Base interactions energy: -117.059
where: short stacking energy: -55.226
Base-Backbone interact. energy: -0.176
local terms energy: -66.852426
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -13.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -151.044243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.044243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.044243 (E_RNA)
where:
Base-Base interactions energy: -84.546
where: short stacking energy: -44.428
Base-Backbone interact. energy: -0.253
local terms energy: -66.245263
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -9.744
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -162.405027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.405027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.405027 (E_RNA)
where:
Base-Base interactions energy: -102.682
where: short stacking energy: -49.593
Base-Backbone interact. energy: -0.049
local terms energy: -59.673928
where:
bonds (distance) C4'-P energy: -6.915
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -9.741
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -169.380526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.380526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.380526 (E_RNA)
where:
Base-Base interactions energy: -106.508
where: short stacking energy: -55.592
Base-Backbone interact. energy: -0.013
local terms energy: -62.858785
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -88.732931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.732931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.732931 (E_RNA)
where:
Base-Base interactions energy: -37.078
where: short stacking energy: -26.539
Base-Backbone interact. energy: -0.016
local terms energy: -51.638322
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -2.824
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: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -74.505712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.505712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.505712 (E_RNA)
where:
Base-Base interactions energy: -23.847
where: short stacking energy: -23.847
Base-Backbone interact. energy: -0.084
local terms energy: -50.575153
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -9.941
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -10.657
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: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -80.999826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.999826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.999826 (E_RNA)
where:
Base-Base interactions energy: -30.747
where: short stacking energy: -30.747
Base-Backbone interact. energy: -0.059
local terms energy: -50.193948
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -5.870
tors. eta vs tors. theta energy: -2.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -75.308924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.308924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.308924 (E_RNA)
where:
Base-Base interactions energy: -20.042
where: short stacking energy: -20.042
Base-Backbone interact. energy: -0.374
local terms energy: -54.893222
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -2.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -219.029464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.029464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.029464 (E_RNA)
where:
Base-Base interactions energy: -140.984
where: short stacking energy: -69.775
Base-Backbone interact. energy: -0.100
local terms energy: -77.946107
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -20.090
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: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -199.050969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.050969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.050969 (E_RNA)
where:
Base-Base interactions energy: -123.475
where: short stacking energy: -63.652
Base-Backbone interact. energy: -0.002
local terms energy: -75.574395
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -8.915
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: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -181.503332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.503332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.503332 (E_RNA)
where:
Base-Base interactions energy: -108.531
where: short stacking energy: -55.243
Base-Backbone interact. energy: -0.066
local terms energy: -72.906466
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -176.680313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.680313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.680313 (E_RNA)
where:
Base-Base interactions energy: -112.783
where: short stacking energy: -54.239
Base-Backbone interact. energy: -0.091
local terms energy: -63.806242
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -11.725
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -178.784978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.784978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.784978 (E_RNA)
where:
Base-Base interactions energy: -120.924
where: short stacking energy: -54.534
Base-Backbone interact. energy: -0.429
local terms energy: -57.432193
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -157.460743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.460743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.460743 (E_RNA)
where:
Base-Base interactions energy: -97.261
where: short stacking energy: -47.718
Base-Backbone interact. energy: -0.302
local terms energy: -59.897460
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -9.657
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: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -86.831058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.831058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.831058 (E_RNA)
where:
Base-Base interactions energy: -31.306
where: short stacking energy: -29.418
Base-Backbone interact. energy: -0.051
local terms energy: -55.473935
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -4.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -81.150912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.150912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.150912 (E_RNA)
where:
Base-Base interactions energy: -32.980
where: short stacking energy: -31.895
Base-Backbone interact. energy: 1.285
local terms energy: -49.455885
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -7.795
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -5.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -80.635709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.635709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.635709 (E_RNA)
where:
Base-Base interactions energy: -39.334
where: short stacking energy: -22.075
Base-Backbone interact. energy: 0.698
local terms energy: -41.999994
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -2.545
tors. eta vs tors. theta energy: 0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -84.260732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.260732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.260732 (E_RNA)
where:
Base-Base interactions energy: -37.138
where: short stacking energy: -36.286
Base-Backbone interact. energy: -0.507
local terms energy: -46.615939
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -8.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -198.107947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.107947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.107947 (E_RNA)
where:
Base-Base interactions energy: -123.124
where: short stacking energy: -63.512
Base-Backbone interact. energy: 0.974
local terms energy: -75.957917
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -6.956
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: 2, replica: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -203.539230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.539230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.539230 (E_RNA)
where:
Base-Base interactions energy: -127.459
where: short stacking energy: -55.812
Base-Backbone interact. energy: -3.081
local terms energy: -73.000021
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -14.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -181.741399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.741399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.741399 (E_RNA)
where:
Base-Base interactions energy: -119.385
where: short stacking energy: -56.246
Base-Backbone interact. energy: -0.084
local terms energy: -62.272343
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -191.505179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.505179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.505179 (E_RNA)
where:
Base-Base interactions energy: -122.634
where: short stacking energy: -63.631
Base-Backbone interact. energy: -0.086
local terms energy: -68.785293
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -9.305
flat angles P-C4'-P energy: -12.713
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: 5, replica: 3
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -172.065807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.065807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.065807 (E_RNA)
where:
Base-Base interactions energy: -113.339
where: short stacking energy: -45.823
Base-Backbone interact. energy: 0.233
local terms energy: -58.959733
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -13.871
flat angles P-C4'-P energy: -3.215
tors. eta vs tors. theta energy: -11.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -148.613844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.613844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.613844 (E_RNA)
where:
Base-Base interactions energy: -81.004
where: short stacking energy: -31.958
Base-Backbone interact. energy: -0.264
local terms energy: -67.345975
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -10.303
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: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -91.881647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.881647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.881647 (E_RNA)
where:
Base-Base interactions energy: -43.345
where: short stacking energy: -40.314
Base-Backbone interact. energy: -0.084
local terms energy: -48.452137
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -4.585
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: 8, replica: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -81.212335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.212335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.212335 (E_RNA)
where:
Base-Base interactions energy: -39.348
where: short stacking energy: -30.609
Base-Backbone interact. energy: -0.287
local terms energy: -41.577224
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: 0.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -81.661782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.661782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.661782 (E_RNA)
where:
Base-Base interactions energy: -29.525
where: short stacking energy: -24.411
Base-Backbone interact. energy: -0.054
local terms energy: -52.082604
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -1.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -73.058425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.058425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.058425 (E_RNA)
where:
Base-Base interactions energy: -29.330
where: short stacking energy: -29.330
Base-Backbone interact. energy: 1.518
local terms energy: -45.246769
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -8.306
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -4.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -204.694705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.694705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.694705 (E_RNA)
where:
Base-Base interactions energy: -136.455
where: short stacking energy: -63.494
Base-Backbone interact. energy: 0.297
local terms energy: -68.537268
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -9.965
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -195.455889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.455889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.455889 (E_RNA)
where:
Base-Base interactions energy: -117.973
where: short stacking energy: -67.037
Base-Backbone interact. energy: 0.222
local terms energy: -77.704692
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -16.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -195.674529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.674529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.674529 (E_RNA)
where:
Base-Base interactions energy: -122.649
where: short stacking energy: -58.383
Base-Backbone interact. energy: -1.556
local terms energy: -71.469837
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -16.509
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: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -188.552770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.552770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.552770 (E_RNA)
where:
Base-Base interactions energy: -119.879
where: short stacking energy: -46.576
Base-Backbone interact. energy: -0.002
local terms energy: -68.671464
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -15.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -169.903689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.903689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.903689 (E_RNA)
where:
Base-Base interactions energy: -101.434
where: short stacking energy: -48.680
Base-Backbone interact. energy: 1.252
local terms energy: -69.721954
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -12.484
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: 6, replica: 3
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -168.122727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.122727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.122727 (E_RNA)
where:
Base-Base interactions energy: -104.211
where: short stacking energy: -50.566
Base-Backbone interact. energy: 0.350
local terms energy: -64.261927
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -7.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -83.218676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.218676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.218676 (E_RNA)
where:
Base-Base interactions energy: -32.921
where: short stacking energy: -27.323
Base-Backbone interact. energy: -0.110
local terms energy: -50.186932
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -2.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -94.366782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.366782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.366782 (E_RNA)
where:
Base-Base interactions energy: -40.087
where: short stacking energy: -34.465
Base-Backbone interact. energy: -0.393
local terms energy: -53.887248
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -8.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -74.241455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.241455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.241455 (E_RNA)
where:
Base-Base interactions energy: -20.924
where: short stacking energy: -20.698
Base-Backbone interact. energy: -0.292
local terms energy: -53.025068
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: 0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -74.576524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.576524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.576524 (E_RNA)
where:
Base-Base interactions energy: -23.497
where: short stacking energy: -14.181
Base-Backbone interact. energy: -0.080
local terms energy: -50.999979
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -7.786
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: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -204.551981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.551981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.551981 (E_RNA)
where:
Base-Base interactions energy: -134.954
where: short stacking energy: -57.085
Base-Backbone interact. energy: -0.676
local terms energy: -68.921482
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -16.210
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: 343
Temperature: 0.950000
Total energy: -201.049475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.049475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.049475 (E_RNA)
where:
Base-Base interactions energy: -123.137
where: short stacking energy: -60.933
Base-Backbone interact. energy: -0.704
local terms energy: -77.208589
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -181.301723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.301723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.301723 (E_RNA)
where:
Base-Base interactions energy: -109.417
where: short stacking energy: -50.573
Base-Backbone interact. energy: -0.076
local terms energy: -71.808550
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -14.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -182.207931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.207931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.207931 (E_RNA)
where:
Base-Base interactions energy: -115.346
where: short stacking energy: -61.040
Base-Backbone interact. energy: -0.051
local terms energy: -66.811282
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -9.957
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: 5, replica: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -176.200130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.200130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.200130 (E_RNA)
where:
Base-Base interactions energy: -110.971
where: short stacking energy: -58.353
Base-Backbone interact. energy: 1.871
local terms energy: -67.099530
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -150.603161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.603161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.603161 (E_RNA)
where:
Base-Base interactions energy: -87.705
where: short stacking energy: -46.019
Base-Backbone interact. energy: -0.069
local terms energy: -62.829450
where:
bonds (distance) C4'-P energy: -10.795
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -11.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -109.785065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.785065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.785065 (E_RNA)
where:
Base-Base interactions energy: -46.968
where: short stacking energy: -41.639
Base-Backbone interact. energy: -0.143
local terms energy: -62.674640
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -7.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -84.103886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.103886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.103886 (E_RNA)
where:
Base-Base interactions energy: -33.098
where: short stacking energy: -25.071
Base-Backbone interact. energy: -0.046
local terms energy: -50.960455
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -4.197
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: 343
Temperature: 1.300000
Total energy: -77.571843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.571843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.571843 (E_RNA)
where:
Base-Base interactions energy: -38.964
where: short stacking energy: -20.228
Base-Backbone interact. energy: -0.137
local terms energy: -38.471646
where:
bonds (distance) C4'-P energy: -10.572
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -8.302
flat angles P-C4'-P energy: -11.394
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: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -76.366476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.366476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.366476 (E_RNA)
where:
Base-Base interactions energy: -18.107
where: short stacking energy: -18.107
Base-Backbone interact. energy: -0.555
local terms energy: -57.704756
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -200.676780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.676780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.676780 (E_RNA)
where:
Base-Base interactions energy: -129.776
where: short stacking energy: -56.556
Base-Backbone interact. energy: -0.457
local terms energy: -70.443000
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -11.435
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: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -208.553416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.553416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.553416 (E_RNA)
where:
Base-Base interactions energy: -132.895
where: short stacking energy: -60.046
Base-Backbone interact. energy: -0.982
local terms energy: -74.676474
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -20.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -188.964111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.964111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.964111 (E_RNA)
where:
Base-Base interactions energy: -119.039
where: short stacking energy: -61.419
Base-Backbone interact. energy: -0.039
local terms energy: -69.886884
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -18.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -182.812461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.812461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.812461 (E_RNA)
where:
Base-Base interactions energy: -123.713
where: short stacking energy: -58.509
Base-Backbone interact. energy: -0.197
local terms energy: -58.902722
where:
bonds (distance) C4'-P energy: -6.041
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -197.417188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.417188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.417188 (E_RNA)
where:
Base-Base interactions energy: -124.887
where: short stacking energy: -58.606
Base-Backbone interact. energy: 0.075
local terms energy: -72.604304
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -12.833
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: 6, replica: 4
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -173.977505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.977505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.977505 (E_RNA)
where:
Base-Base interactions energy: -110.634
where: short stacking energy: -48.767
Base-Backbone interact. energy: -0.067
local terms energy: -63.276764
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -9.777
flat angles P-C4'-P energy: -7.300
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: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -99.371053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.371053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.371053 (E_RNA)
where:
Base-Base interactions energy: -46.298
where: short stacking energy: -42.188
Base-Backbone interact. energy: 0.192
local terms energy: -53.264939
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -96.270224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.270224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.270224 (E_RNA)
where:
Base-Base interactions energy: -42.436
where: short stacking energy: -33.274
Base-Backbone interact. energy: -0.127
local terms energy: -53.706478
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -11.004
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -83.964496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.964496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.964496 (E_RNA)
where:
Base-Base interactions energy: -31.389
where: short stacking energy: -25.938
Base-Backbone interact. energy: -0.605
local terms energy: -51.970730
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -13.064
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -3.305
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: 6
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -75.643394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.643394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.643394 (E_RNA)
where:
Base-Base interactions energy: -24.124
where: short stacking energy: -23.154
Base-Backbone interact. energy: -0.158
local terms energy: -51.361448
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -3.073
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: 10
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -210.430076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.430076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.430076 (E_RNA)
where:
Base-Base interactions energy: -143.336
where: short stacking energy: -60.051
Base-Backbone interact. energy: 0.683
local terms energy: -67.776719
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -15.225
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: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -192.276608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.276608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.276608 (E_RNA)
where:
Base-Base interactions energy: -120.785
where: short stacking energy: -65.375
Base-Backbone interact. energy: -0.096
local terms energy: -71.396206
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -10.574
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -22.839
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: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -199.501844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.501844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.501844 (E_RNA)
where:
Base-Base interactions energy: -121.585
where: short stacking energy: -69.423
Base-Backbone interact. energy: -2.425
local terms energy: -75.491507
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -193.593902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.593902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.593902 (E_RNA)
where:
Base-Base interactions energy: -114.830
where: short stacking energy: -64.100
Base-Backbone interact. energy: -0.177
local terms energy: -78.587030
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -21.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -190.144862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.144862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.144862 (E_RNA)
where:
Base-Base interactions energy: -120.703
where: short stacking energy: -58.522
Base-Backbone interact. energy: -0.041
local terms energy: -69.400823
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -14.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -169.907982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.907982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.907982 (E_RNA)
where:
Base-Base interactions energy: -103.294
where: short stacking energy: -50.894
Base-Backbone interact. energy: -0.007
local terms energy: -66.607119
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -15.245
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: 345
Temperature: 1.200000
Total energy: -85.574936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.574936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.574936 (E_RNA)
where:
Base-Base interactions energy: -29.750
where: short stacking energy: -26.816
Base-Backbone interact. energy: 0.543
local terms energy: -56.368149
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -13.190
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: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -83.560024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.560024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.560024 (E_RNA)
where:
Base-Base interactions energy: -26.244
where: short stacking energy: -26.244
Base-Backbone interact. energy: -0.052
local terms energy: -57.264203
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -7.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -83.833833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.833833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.833833 (E_RNA)
where:
Base-Base interactions energy: -42.206
where: short stacking energy: -42.205
Base-Backbone interact. energy: -0.186
local terms energy: -41.442045
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -8.178
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -72.713458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.713458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.713458 (E_RNA)
where:
Base-Base interactions energy: -22.642
where: short stacking energy: -20.958
Base-Backbone interact. energy: -0.074
local terms energy: -49.997912
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -1.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -200.076511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.076511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.076511 (E_RNA)
where:
Base-Base interactions energy: -120.318
where: short stacking energy: -53.840
Base-Backbone interact. energy: -0.239
local terms energy: -79.518872
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -201.830453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.830453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.830453 (E_RNA)
where:
Base-Base interactions energy: -123.657
where: short stacking energy: -68.294
Base-Backbone interact. energy: -0.002
local terms energy: -78.171488
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -22.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -186.275870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.275870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.275870 (E_RNA)
where:
Base-Base interactions energy: -112.905
where: short stacking energy: -63.342
Base-Backbone interact. energy: -0.175
local terms energy: -73.196343
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -192.813743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.813743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.813743 (E_RNA)
where:
Base-Base interactions energy: -122.853
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.432
local terms energy: -69.528677
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -20.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -171.481422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.481422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.481422 (E_RNA)
where:
Base-Base interactions energy: -97.618
where: short stacking energy: -43.098
Base-Backbone interact. energy: -0.003
local terms energy: -73.861290
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -160.913538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.913538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.913538 (E_RNA)
where:
Base-Base interactions energy: -101.567
where: short stacking energy: -47.927
Base-Backbone interact. energy: -0.121
local terms energy: -59.225945
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -10.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -100.391999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.391999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.391999 (E_RNA)
where:
Base-Base interactions energy: -42.600
where: short stacking energy: -34.953
Base-Backbone interact. energy: 0.363
local terms energy: -58.154839
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -4.956
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: 1
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -91.972661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.972661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.972661 (E_RNA)
where:
Base-Base interactions energy: -31.652
where: short stacking energy: -27.745
Base-Backbone interact. energy: -0.140
local terms energy: -60.181110
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -87.533715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.533715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.533715 (E_RNA)
where:
Base-Base interactions energy: -41.402
where: short stacking energy: -34.591
Base-Backbone interact. energy: -0.063
local terms energy: -46.069119
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -7.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -74.338585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.338585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.338585 (E_RNA)
where:
Base-Base interactions energy: -28.811
where: short stacking energy: -27.342
Base-Backbone interact. energy: -0.193
local terms energy: -45.335243
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -194.610777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.610777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.610777 (E_RNA)
where:
Base-Base interactions energy: -118.533
where: short stacking energy: -62.641
Base-Backbone interact. energy: -0.014
local terms energy: -76.064089
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -12.553
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: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -201.834112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.834112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.834112 (E_RNA)
where:
Base-Base interactions energy: -124.952
where: short stacking energy: -65.349
Base-Backbone interact. energy: -0.050
local terms energy: -76.832338
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -201.165539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.165539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.165539 (E_RNA)
where:
Base-Base interactions energy: -124.369
where: short stacking energy: -61.121
Base-Backbone interact. energy: -0.094
local terms energy: -76.701926
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -11.060
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: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -182.129374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.129374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.129374 (E_RNA)
where:
Base-Base interactions energy: -112.960
where: short stacking energy: -57.071
Base-Backbone interact. energy: -0.009
local terms energy: -69.160685
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -14.786
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: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -206.580667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.580667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.580667 (E_RNA)
where:
Base-Base interactions energy: -138.795
where: short stacking energy: -64.771
Base-Backbone interact. energy: -0.104
local terms energy: -67.681115
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -163.937325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.937325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.937325 (E_RNA)
where:
Base-Base interactions energy: -104.589
where: short stacking energy: -48.443
Base-Backbone interact. energy: 2.022
local terms energy: -61.369867
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -94.677806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.677806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.677806 (E_RNA)
where:
Base-Base interactions energy: -37.769
where: short stacking energy: -33.373
Base-Backbone interact. energy: -0.117
local terms energy: -56.791233
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -9.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -85.354243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.354243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.354243 (E_RNA)
where:
Base-Base interactions energy: -37.173
where: short stacking energy: -28.337
Base-Backbone interact. energy: -0.136
local terms energy: -48.045559
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: 1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -73.906144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.906144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.906144 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -29.054
Base-Backbone interact. energy: 1.228
local terms energy: -45.160134
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -72.295675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.295675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.295675 (E_RNA)
where:
Base-Base interactions energy: -37.927
where: short stacking energy: -22.475
Base-Backbone interact. energy: 0.113
local terms energy: -34.481376
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -6.234
flat angles P-C4'-P energy: -1.327
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -201.253088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.253088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.253088 (E_RNA)
where:
Base-Base interactions energy: -125.450
where: short stacking energy: -64.894
Base-Backbone interact. energy: -0.009
local terms energy: -75.793843
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -18.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -190.864226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.864226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.864226 (E_RNA)
where:
Base-Base interactions energy: -122.232
where: short stacking energy: -67.961
Base-Backbone interact. energy: -0.014
local terms energy: -68.618277
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -18.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -206.167532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.167532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.167532 (E_RNA)
where:
Base-Base interactions energy: -132.778
where: short stacking energy: -57.764
Base-Backbone interact. energy: -0.030
local terms energy: -73.359326
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -11.115
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -179.372319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.372319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.372319 (E_RNA)
where:
Base-Base interactions energy: -116.726
where: short stacking energy: -50.691
Base-Backbone interact. energy: 0.509
local terms energy: -63.155879
where:
bonds (distance) C4'-P energy: -9.165
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -16.625
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: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -198.333085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.333085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.333085 (E_RNA)
where:
Base-Base interactions energy: -130.222
where: short stacking energy: -68.040
Base-Backbone interact. energy: -0.129
local terms energy: -67.981861
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: -17.492
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: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -173.943424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.943424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.943424 (E_RNA)
where:
Base-Base interactions energy: -112.291
where: short stacking energy: -52.043
Base-Backbone interact. energy: -0.021
local terms energy: -61.631894
where:
bonds (distance) C4'-P energy: -7.802
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -14.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -94.198846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.198846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.198846 (E_RNA)
where:
Base-Base interactions energy: -52.995
where: short stacking energy: -33.290
Base-Backbone interact. energy: -0.193
local terms energy: -41.010694
where:
bonds (distance) C4'-P energy: -9.036
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -4.198
flat angles P-C4'-P energy: -7.744
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -91.811302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.811302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.811302 (E_RNA)
where:
Base-Base interactions energy: -32.379
where: short stacking energy: -28.909
Base-Backbone interact. energy: -0.853
local terms energy: -58.579356
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -9.707
tors. eta vs tors. theta energy: -6.867
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: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -77.537265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.537265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.537265 (E_RNA)
where:
Base-Base interactions energy: -33.374
where: short stacking energy: -16.020
Base-Backbone interact. energy: -0.572
local terms energy: -43.590823
where:
bonds (distance) C4'-P energy: -10.079
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -11.714
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: 10, replica: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -81.752746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.752746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.752746 (E_RNA)
where:
Base-Base interactions energy: -37.553
where: short stacking energy: -32.046
Base-Backbone interact. energy: -0.234
local terms energy: -43.966500
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -8.971
flat angles P-C4'-P energy: -7.202
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: 1, replica: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -196.921288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.921288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.921288 (E_RNA)
where:
Base-Base interactions energy: -124.068
where: short stacking energy: -53.926
Base-Backbone interact. energy: -0.007
local terms energy: -72.846308
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -193.179809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.179809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.179809 (E_RNA)
where:
Base-Base interactions energy: -120.310
where: short stacking energy: -62.390
Base-Backbone interact. energy: -1.485
local terms energy: -71.385341
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -6.819
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: 3, replica: 10
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -182.975615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.975615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.975615 (E_RNA)
where:
Base-Base interactions energy: -112.053
where: short stacking energy: -55.001
Base-Backbone interact. energy: -0.307
local terms energy: -70.615689
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -13.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -196.875626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.875626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.875626 (E_RNA)
where:
Base-Base interactions energy: -133.473
where: short stacking energy: -65.561
Base-Backbone interact. energy: -0.282
local terms energy: -63.120851
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -7.370
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: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -174.248607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.248607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.248607 (E_RNA)
where:
Base-Base interactions energy: -110.615
where: short stacking energy: -53.015
Base-Backbone interact. energy: -0.196
local terms energy: -63.436949
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -11.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -164.621728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.621728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.621728 (E_RNA)
where:
Base-Base interactions energy: -101.907
where: short stacking energy: -44.055
Base-Backbone interact. energy: -0.007
local terms energy: -62.706756
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -9.815
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -84.430688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.430688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.430688 (E_RNA)
where:
Base-Base interactions energy: -37.522
where: short stacking energy: -18.750
Base-Backbone interact. energy: -0.264
local terms energy: -46.645016
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -5.427
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -100.454714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.454714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.454714 (E_RNA)
where:
Base-Base interactions energy: -47.149
where: short stacking energy: -36.226
Base-Backbone interact. energy: -0.101
local terms energy: -53.204929
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -7.427
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: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -81.167088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.167088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.167088 (E_RNA)
where:
Base-Base interactions energy: -32.559
where: short stacking energy: -29.285
Base-Backbone interact. energy: -0.513
local terms energy: -48.095428
where:
bonds (distance) C4'-P energy: -10.500
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -8.820
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -6.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -85.708180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.708180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.708180 (E_RNA)
where:
Base-Base interactions energy: -40.250
where: short stacking energy: -26.380
Base-Backbone interact. energy: -0.247
local terms energy: -45.210943
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -9.129
flat angles P-C4'-P energy: -5.056
tors. eta vs tors. theta energy: -0.066
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: 350
Temperature: 0.900000
Total energy: -202.403852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.403852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.403852 (E_RNA)
where:
Base-Base interactions energy: -135.483
where: short stacking energy: -53.118
Base-Backbone interact. energy: -0.098
local terms energy: -66.823108
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -16.917
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: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -198.454465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.454465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.454465 (E_RNA)
where:
Base-Base interactions energy: -125.172
where: short stacking energy: -56.868
Base-Backbone interact. energy: -0.630
local terms energy: -72.651661
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -19.065
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: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -204.141236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.141236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.141236 (E_RNA)
where:
Base-Base interactions energy: -131.056
where: short stacking energy: -59.654
Base-Backbone interact. energy: -0.397
local terms energy: -72.688245
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -181.390586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.390586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.390586 (E_RNA)
where:
Base-Base interactions energy: -111.761
where: short stacking energy: -57.927
Base-Backbone interact. energy: -0.314
local terms energy: -69.315437
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -165.719193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.719193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.719193 (E_RNA)
where:
Base-Base interactions energy: -107.702
where: short stacking energy: -54.562
Base-Backbone interact. energy: -0.430
local terms energy: -57.587218
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -10.025
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -10.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -164.116472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.116472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.116472 (E_RNA)
where:
Base-Base interactions energy: -103.620
where: short stacking energy: -55.924
Base-Backbone interact. energy: -0.369
local terms energy: -60.127835
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -8.148
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: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -102.927240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.927240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.927240 (E_RNA)
where:
Base-Base interactions energy: -48.116
where: short stacking energy: -41.162
Base-Backbone interact. energy: -0.100
local terms energy: -54.711043
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -8.769
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -6.277
tors. eta vs tors. theta energy: -10.076
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: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -84.963747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.963747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.963747 (E_RNA)
where:
Base-Base interactions energy: -29.456
where: short stacking energy: -23.386
Base-Backbone interact. energy: -1.370
local terms energy: -54.137331
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -8.389
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: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -77.495745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.495745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.495745 (E_RNA)
where:
Base-Base interactions energy: -30.774
where: short stacking energy: -29.324
Base-Backbone interact. energy: -0.133
local terms energy: -46.589218
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -3.466
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: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -83.929684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.929684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.929684 (E_RNA)
where:
Base-Base interactions energy: -42.199
where: short stacking energy: -22.644
Base-Backbone interact. energy: 0.196
local terms energy: -41.926376
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: 1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -200.861408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.861408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.861408 (E_RNA)
where:
Base-Base interactions energy: -129.577
where: short stacking energy: -50.564
Base-Backbone interact. energy: -0.354
local terms energy: -70.930297
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -197.160512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.160512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.160512 (E_RNA)
where:
Base-Base interactions energy: -120.950
where: short stacking energy: -54.859
Base-Backbone interact. energy: 0.275
local terms energy: -76.485299
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -199.107878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.107878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.107878 (E_RNA)
where:
Base-Base interactions energy: -119.358
where: short stacking energy: -62.870
Base-Backbone interact. energy: -0.001
local terms energy: -79.748731
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -21.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -181.745600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.745600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.745600 (E_RNA)
where:
Base-Base interactions energy: -115.422
where: short stacking energy: -58.718
Base-Backbone interact. energy: -0.010
local terms energy: -66.313036
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -17.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -165.189280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.189280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.189280 (E_RNA)
where:
Base-Base interactions energy: -96.493
where: short stacking energy: -47.856
Base-Backbone interact. energy: -0.651
local terms energy: -68.045528
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -11.823
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: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -144.625582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.625582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.625582 (E_RNA)
where:
Base-Base interactions energy: -87.544
where: short stacking energy: -38.089
Base-Backbone interact. energy: -0.194
local terms energy: -56.887393
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -85.459172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.459172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.459172 (E_RNA)
where:
Base-Base interactions energy: -28.323
where: short stacking energy: -28.323
Base-Backbone interact. energy: 0.339
local terms energy: -57.475370
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -14.090
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -3.020
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: 351
Temperature: 1.250000
Total energy: -96.098795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.098795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.098795 (E_RNA)
where:
Base-Base interactions energy: -46.653
where: short stacking energy: -46.653
Base-Backbone interact. energy: -0.063
local terms energy: -49.382251
where:
bonds (distance) C4'-P energy: -9.530
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -7.848
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -83.674402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.674402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.674402 (E_RNA)
where:
Base-Base interactions energy: -30.263
where: short stacking energy: -27.536
Base-Backbone interact. energy: 0.563
local terms energy: -53.974897
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -4.895
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: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -69.769519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.769519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.769519 (E_RNA)
where:
Base-Base interactions energy: -24.009
where: short stacking energy: -17.716
Base-Backbone interact. energy: -0.388
local terms energy: -45.372994
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -7.308
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: 3.342
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: 1, replica: 5
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -204.228111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.228111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.228111 (E_RNA)
where:
Base-Base interactions energy: -129.116
where: short stacking energy: -57.296
Base-Backbone interact. energy: -1.054
local terms energy: -74.058110
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -17.846
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: 352
Temperature: 0.950000
Total energy: -202.791579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.791579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.791579 (E_RNA)
where:
Base-Base interactions energy: -133.163
where: short stacking energy: -74.106
Base-Backbone interact. energy: -0.172
local terms energy: -69.455937
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -181.115972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.115972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.115972 (E_RNA)
where:
Base-Base interactions energy: -117.395
where: short stacking energy: -56.313
Base-Backbone interact. energy: -0.012
local terms energy: -63.709195
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -10.716
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: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -179.228243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.228243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.228243 (E_RNA)
where:
Base-Base interactions energy: -115.371
where: short stacking energy: -53.314
Base-Backbone interact. energy: -0.079
local terms energy: -63.777751
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -15.064
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -171.976679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.976679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.976679 (E_RNA)
where:
Base-Base interactions energy: -100.536
where: short stacking energy: -49.175
Base-Backbone interact. energy: -0.203
local terms energy: -71.238121
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -15.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -174.201544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.201544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.201544 (E_RNA)
where:
Base-Base interactions energy: -106.613
where: short stacking energy: -53.549
Base-Backbone interact. energy: -0.104
local terms energy: -67.484542
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -84.839579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.839579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.839579 (E_RNA)
where:
Base-Base interactions energy: -33.324
where: short stacking energy: -33.324
Base-Backbone interact. energy: -0.014
local terms energy: -51.502032
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -4.387
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: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -80.107602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.107602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.107602 (E_RNA)
where:
Base-Base interactions energy: -23.848
where: short stacking energy: -23.019
Base-Backbone interact. energy: -0.680
local terms energy: -55.579999
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -8.775
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -7.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -74.867747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.867747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.867747 (E_RNA)
where:
Base-Base interactions energy: -26.706
where: short stacking energy: -22.113
Base-Backbone interact. energy: -0.212
local terms energy: -47.950121
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -74.103616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.103616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.103616 (E_RNA)
where:
Base-Base interactions energy: -25.103
where: short stacking energy: -25.103
Base-Backbone interact. energy: -0.046
local terms energy: -48.955440
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -206.107714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.107714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.107714 (E_RNA)
where:
Base-Base interactions energy: -136.897
where: short stacking energy: -68.676
Base-Backbone interact. energy: -0.061
local terms energy: -69.149541
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -11.046
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -197.557862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.557862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.557862 (E_RNA)
where:
Base-Base interactions energy: -118.644
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.262
local terms energy: -78.651791
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -184.357961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.357961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.357961 (E_RNA)
where:
Base-Base interactions energy: -111.784
where: short stacking energy: -62.652
Base-Backbone interact. energy: -0.448
local terms energy: -72.125740
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -15.167
flat angles P-C4'-P energy: -7.505
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: 4, replica: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -184.966446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.966446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.966446 (E_RNA)
where:
Base-Base interactions energy: -120.495
where: short stacking energy: -62.374
Base-Backbone interact. energy: -0.142
local terms energy: -64.329565
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -18.356
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: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -170.667182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.667182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.667182 (E_RNA)
where:
Base-Base interactions energy: -110.050
where: short stacking energy: -50.640
Base-Backbone interact. energy: -0.744
local terms energy: -59.873073
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -6.394
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -14.921
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: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -167.159276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.159276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.159276 (E_RNA)
where:
Base-Base interactions energy: -113.158
where: short stacking energy: -56.163
Base-Backbone interact. energy: -0.011
local terms energy: -53.989974
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: -10.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -96.110912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.110912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.110912 (E_RNA)
where:
Base-Base interactions energy: -45.550
where: short stacking energy: -24.653
Base-Backbone interact. energy: -0.060
local terms energy: -50.500267
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -3.340
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: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -102.500213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.500213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.500213 (E_RNA)
where:
Base-Base interactions energy: -42.001
where: short stacking energy: -42.001
Base-Backbone interact. energy: -0.003
local terms energy: -60.496508
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -8.979
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: 9, replica: 1
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -75.536571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.536571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.536571 (E_RNA)
where:
Base-Base interactions energy: -21.140
where: short stacking energy: -18.516
Base-Backbone interact. energy: -0.227
local terms energy: -54.169770
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -73.343073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.343073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.343073 (E_RNA)
where:
Base-Base interactions energy: -28.132
where: short stacking energy: -16.947
Base-Backbone interact. energy: -0.219
local terms energy: -44.992848
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: 8.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -198.424989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.424989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.424989 (E_RNA)
where:
Base-Base interactions energy: -124.347
where: short stacking energy: -63.423
Base-Backbone interact. energy: -0.215
local terms energy: -73.863099
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -191.689943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.689943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.689943 (E_RNA)
where:
Base-Base interactions energy: -120.671
where: short stacking energy: -59.299
Base-Backbone interact. energy: -0.001
local terms energy: -71.017978
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -6.933
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: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -189.640470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.640470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.640470 (E_RNA)
where:
Base-Base interactions energy: -118.130
where: short stacking energy: -53.637
Base-Backbone interact. energy: -0.001
local terms energy: -71.509646
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -17.609
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: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -182.509536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.509536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.509536 (E_RNA)
where:
Base-Base interactions energy: -110.960
where: short stacking energy: -64.076
Base-Backbone interact. energy: -0.511
local terms energy: -71.038127
where:
bonds (distance) C4'-P energy: -10.510
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -15.474
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -20.498
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: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -174.332630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.332630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.332630 (E_RNA)
where:
Base-Base interactions energy: -115.350
where: short stacking energy: -56.572
Base-Backbone interact. energy: 0.587
local terms energy: -59.569924
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -14.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -172.739387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.739387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.739387 (E_RNA)
where:
Base-Base interactions energy: -108.974
where: short stacking energy: -51.099
Base-Backbone interact. energy: -1.704
local terms energy: -62.062000
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -13.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -98.332944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.332944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.332944 (E_RNA)
where:
Base-Base interactions energy: -41.708
where: short stacking energy: -28.678
Base-Backbone interact. energy: -0.057
local terms energy: -56.567946
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -93.715664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.715664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.715664 (E_RNA)
where:
Base-Base interactions energy: -44.987
where: short stacking energy: -23.641
Base-Backbone interact. energy: -0.482
local terms energy: -48.247133
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -88.269832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.269832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.269832 (E_RNA)
where:
Base-Base interactions energy: -31.630
where: short stacking energy: -31.630
Base-Backbone interact. energy: -0.337
local terms energy: -56.302899
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -10.478
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: 1
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -77.810701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.810701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.810701 (E_RNA)
where:
Base-Base interactions energy: -22.255
where: short stacking energy: -21.072
Base-Backbone interact. energy: 0.981
local terms energy: -56.536539
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -4.350
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: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -203.745080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.745080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.745080 (E_RNA)
where:
Base-Base interactions energy: -127.692
where: short stacking energy: -59.875
Base-Backbone interact. energy: -0.131
local terms energy: -75.922018
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -20.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -203.124486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.124486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.124486 (E_RNA)
where:
Base-Base interactions energy: -131.259
where: short stacking energy: -67.222
Base-Backbone interact. energy: -0.400
local terms energy: -71.465414
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -15.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -190.465363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.465363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.465363 (E_RNA)
where:
Base-Base interactions energy: -120.325
where: short stacking energy: -55.834
Base-Backbone interact. energy: -0.100
local terms energy: -70.040230
where:
bonds (distance) C4'-P energy: -9.159
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -21.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -170.766015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.766015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.766015 (E_RNA)
where:
Base-Base interactions energy: -109.820
where: short stacking energy: -49.603
Base-Backbone interact. energy: -0.471
local terms energy: -60.475303
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -8.572
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -8.553
tors. eta vs tors. theta energy: -11.260
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: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -174.634495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.634495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.634495 (E_RNA)
where:
Base-Base interactions energy: -118.963
where: short stacking energy: -48.884
Base-Backbone interact. energy: -0.763
local terms energy: -54.907714
where:
bonds (distance) C4'-P energy: -8.020
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -160.872183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.872183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.872183 (E_RNA)
where:
Base-Base interactions energy: -102.439
where: short stacking energy: -54.838
Base-Backbone interact. energy: -0.055
local terms energy: -58.377545
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -14.150
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: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -104.962401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.962401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.962401 (E_RNA)
where:
Base-Base interactions energy: -47.986
where: short stacking energy: -36.127
Base-Backbone interact. energy: -0.417
local terms energy: -56.560123
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -5.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -85.913459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.913459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.913459 (E_RNA)
where:
Base-Base interactions energy: -31.786
where: short stacking energy: -31.499
Base-Backbone interact. energy: -0.017
local terms energy: -54.110779
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -8.530
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: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -86.557611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.557611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.557611 (E_RNA)
where:
Base-Base interactions energy: -30.685
where: short stacking energy: -30.600
Base-Backbone interact. energy: -0.254
local terms energy: -55.618354
where:
bonds (distance) C4'-P energy: -10.915
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -7.824
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: 355
Temperature: 1.350000
Total energy: -71.128601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.128601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.128601 (E_RNA)
where:
Base-Base interactions energy: -26.370
where: short stacking energy: -25.740
Base-Backbone interact. energy: -0.445
local terms energy: -44.313516
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -4.320
tors. eta vs tors. theta energy: -0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -218.291760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.291760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.291760 (E_RNA)
where:
Base-Base interactions energy: -140.839
where: short stacking energy: -70.594
Base-Backbone interact. energy: -0.002
local terms energy: -77.450704
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -21.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -201.175135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.175135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.175135 (E_RNA)
where:
Base-Base interactions energy: -119.361
where: short stacking energy: -65.724
Base-Backbone interact. energy: -1.165
local terms energy: -80.649064
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: -20.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -194.893493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.893493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.893493 (E_RNA)
where:
Base-Base interactions energy: -119.464
where: short stacking energy: -61.321
Base-Backbone interact. energy: 0.358
local terms energy: -75.787342
where:
bonds (distance) C4'-P energy: -9.355
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -161.643613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.643613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.643613 (E_RNA)
where:
Base-Base interactions energy: -99.574
where: short stacking energy: -44.408
Base-Backbone interact. energy: -0.002
local terms energy: -62.068540
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -172.100152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.100152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.100152 (E_RNA)
where:
Base-Base interactions energy: -106.347
where: short stacking energy: -42.289
Base-Backbone interact. energy: -0.101
local terms energy: -65.652155
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -10.921
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: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -159.981899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.981899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.981899 (E_RNA)
where:
Base-Base interactions energy: -106.177
where: short stacking energy: -47.078
Base-Backbone interact. energy: -0.034
local terms energy: -53.770760
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -9.746
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -7.318
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: 356
Temperature: 1.200000
Total energy: -95.416039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.416039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.416039 (E_RNA)
where:
Base-Base interactions energy: -39.394
where: short stacking energy: -30.644
Base-Backbone interact. energy: -0.265
local terms energy: -55.757846
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -89.775682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.775682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.775682 (E_RNA)
where:
Base-Base interactions energy: -29.366
where: short stacking energy: -27.552
Base-Backbone interact. energy: 0.560
local terms energy: -60.969355
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -11.033
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: 9, replica: 1
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -75.181999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.181999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.181999 (E_RNA)
where:
Base-Base interactions energy: -28.478
where: short stacking energy: -23.956
Base-Backbone interact. energy: 0.985
local terms energy: -47.688731
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -75.035296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.035296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.035296 (E_RNA)
where:
Base-Base interactions energy: -27.686
where: short stacking energy: -22.137
Base-Backbone interact. energy: -1.065
local terms energy: -46.284938
where:
bonds (distance) C4'-P energy: -11.166
bonds (distance) P-C4' energy: -8.344
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -2.249
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: 3
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -215.744039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.744039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.744039 (E_RNA)
where:
Base-Base interactions energy: -132.340
where: short stacking energy: -74.002
Base-Backbone interact. energy: -1.938
local terms energy: -81.465645
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -22.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -184.501414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.501414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.501414 (E_RNA)
where:
Base-Base interactions energy: -111.734
where: short stacking energy: -52.520
Base-Backbone interact. energy: -0.057
local terms energy: -72.710580
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -16.460
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: 357
Temperature: 1.000000
Total energy: -195.630080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.630080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.630080 (E_RNA)
where:
Base-Base interactions energy: -122.365
where: short stacking energy: -64.643
Base-Backbone interact. energy: -0.396
local terms energy: -72.869350
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -12.056
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: 4, replica: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -182.951032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.951032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.951032 (E_RNA)
where:
Base-Base interactions energy: -110.050
where: short stacking energy: -58.400
Base-Backbone interact. energy: -0.159
local terms energy: -72.742671
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -154.716500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.716500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.716500 (E_RNA)
where:
Base-Base interactions energy: -101.477
where: short stacking energy: -41.088
Base-Backbone interact. energy: -0.347
local terms energy: -52.891675
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -156.065011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.065011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.065011 (E_RNA)
where:
Base-Base interactions energy: -96.245
where: short stacking energy: -53.189
Base-Backbone interact. energy: -0.301
local terms energy: -59.518884
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -11.690
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: 357
Temperature: 1.200000
Total energy: -89.646914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.646914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.646914 (E_RNA)
where:
Base-Base interactions energy: -34.686
where: short stacking energy: -34.686
Base-Backbone interact. energy: -0.006
local terms energy: -54.954721
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -4.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -83.571054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.571054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.571054 (E_RNA)
where:
Base-Base interactions energy: -32.897
where: short stacking energy: -30.134
Base-Backbone interact. energy: -0.066
local terms energy: -50.608345
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -10.539
flat angles C4'-P-C4' energy: -11.509
flat angles P-C4'-P energy: -10.563
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: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -83.054343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.054343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.054343 (E_RNA)
where:
Base-Base interactions energy: -38.977
where: short stacking energy: -26.286
Base-Backbone interact. energy: 0.513
local terms energy: -44.590869
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -12.959
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -4.967
tors. eta vs tors. theta energy: 1.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -77.254108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.254108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.254108 (E_RNA)
where:
Base-Base interactions energy: -25.036
where: short stacking energy: -25.036
Base-Backbone interact. energy: -0.093
local terms energy: -52.125361
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -4.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -213.047656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.047656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.047656 (E_RNA)
where:
Base-Base interactions energy: -138.335
where: short stacking energy: -63.166
Base-Backbone interact. energy: -0.002
local terms energy: -74.710419
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -188.598666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.598666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.598666 (E_RNA)
where:
Base-Base interactions energy: -113.872
where: short stacking energy: -52.499
Base-Backbone interact. energy: -0.158
local terms energy: -74.568649
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -187.171479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.171479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.171479 (E_RNA)
where:
Base-Base interactions energy: -112.796
where: short stacking energy: -54.651
Base-Backbone interact. energy: 0.679
local terms energy: -75.054056
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -14.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -199.266252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.266252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.266252 (E_RNA)
where:
Base-Base interactions energy: -129.239
where: short stacking energy: -60.350
Base-Backbone interact. energy: -0.603
local terms energy: -69.424484
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -10.028
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: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -181.609641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.609641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.609641 (E_RNA)
where:
Base-Base interactions energy: -112.199
where: short stacking energy: -63.199
Base-Backbone interact. energy: -0.819
local terms energy: -68.591714
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -168.742709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.742709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.742709 (E_RNA)
where:
Base-Base interactions energy: -110.601
where: short stacking energy: -47.204
Base-Backbone interact. energy: -0.359
local terms energy: -57.782942
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -10.937
flat angles P-C4'-P energy: -8.407
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -92.116719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.116719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.116719 (E_RNA)
where:
Base-Base interactions energy: -36.259
where: short stacking energy: -31.085
Base-Backbone interact. energy: -0.169
local terms energy: -55.688016
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -8.668
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: 8, replica: 7
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -96.231264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.231264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.231264 (E_RNA)
where:
Base-Base interactions energy: -40.701
where: short stacking energy: -24.479
Base-Backbone interact. energy: -0.264
local terms energy: -55.265989
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -5.939
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -72.501270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.501270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.501270 (E_RNA)
where:
Base-Base interactions energy: -24.329
where: short stacking energy: -24.329
Base-Backbone interact. energy: -0.636
local terms energy: -47.535676
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: 0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -82.282280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.282280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.282280 (E_RNA)
where:
Base-Base interactions energy: -41.787
where: short stacking energy: -28.781
Base-Backbone interact. energy: -0.039
local terms energy: -40.456809
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -8.019
flat angles P-C4'-P energy: -4.321
tors. eta vs tors. theta energy: -0.844
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: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -210.054670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.054670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.054670 (E_RNA)
where:
Base-Base interactions energy: -133.001
where: short stacking energy: -65.335
Base-Backbone interact. energy: -0.044
local terms energy: -77.009900
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -6.538
tors. eta vs tors. theta energy: -22.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -201.926677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.926677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.926677 (E_RNA)
where:
Base-Base interactions energy: -133.365
where: short stacking energy: -61.987
Base-Backbone interact. energy: -0.003
local terms energy: -68.558655
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -178.463095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.463095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.463095 (E_RNA)
where:
Base-Base interactions energy: -115.319
where: short stacking energy: -57.508
Base-Backbone interact. energy: -0.118
local terms energy: -63.026248
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -11.055
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: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -175.228707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.228707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.228707 (E_RNA)
where:
Base-Base interactions energy: -115.465
where: short stacking energy: -59.941
Base-Backbone interact. energy: -0.100
local terms energy: -59.663570
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -9.490
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: 5, replica: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -166.414151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.414151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.414151 (E_RNA)
where:
Base-Base interactions energy: -101.319
where: short stacking energy: -38.834
Base-Backbone interact. energy: 0.855
local terms energy: -65.950667
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -9.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -156.230495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.230495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.230495 (E_RNA)
where:
Base-Base interactions energy: -89.307
where: short stacking energy: -44.528
Base-Backbone interact. energy: -0.092
local terms energy: -66.830918
where:
bonds (distance) C4'-P energy: -10.241
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -12.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -91.381570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.381570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.381570 (E_RNA)
where:
Base-Base interactions energy: -37.782
where: short stacking energy: -34.083
Base-Backbone interact. energy: -0.273
local terms energy: -53.326466
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -7.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -86.247255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.247255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.247255 (E_RNA)
where:
Base-Base interactions energy: -27.734
where: short stacking energy: -26.907
Base-Backbone interact. energy: -0.223
local terms energy: -58.290117
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -5.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -82.303678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.303678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.303678 (E_RNA)
where:
Base-Base interactions energy: -31.774
where: short stacking energy: -23.827
Base-Backbone interact. energy: 0.265
local terms energy: -50.794979
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -9.013
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -5.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -75.826443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.826443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.826443 (E_RNA)
where:
Base-Base interactions energy: -25.112
where: short stacking energy: -25.112
Base-Backbone interact. energy: -0.152
local terms energy: -50.562765
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -1.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -186.847729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.847729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.847729 (E_RNA)
where:
Base-Base interactions energy: -117.992
where: short stacking energy: -51.328
Base-Backbone interact. energy: -0.008
local terms energy: -68.848128
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -195.358412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.358412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.358412 (E_RNA)
where:
Base-Base interactions energy: -122.165
where: short stacking energy: -56.277
Base-Backbone interact. energy: -0.064
local terms energy: -73.129152
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -21.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -175.145844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.145844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.145844 (E_RNA)
where:
Base-Base interactions energy: -105.982
where: short stacking energy: -51.956
Base-Backbone interact. energy: 0.226
local terms energy: -69.389305
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -15.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -177.099661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.099661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.099661 (E_RNA)
where:
Base-Base interactions energy: -119.444
where: short stacking energy: -50.287
Base-Backbone interact. energy: -0.077
local terms energy: -57.578729
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -8.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -149.837791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.837791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.837791 (E_RNA)
where:
Base-Base interactions energy: -88.714
where: short stacking energy: -31.220
Base-Backbone interact. energy: -0.264
local terms energy: -60.859917
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -10.160
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -10.833
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: 360
Temperature: 1.150000
Total energy: -160.035734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.035734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.035734 (E_RNA)
where:
Base-Base interactions energy: -94.082
where: short stacking energy: -35.259
Base-Backbone interact. energy: -0.439
local terms energy: -65.514064
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -11.645
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -104.772122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.772122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.772122 (E_RNA)
where:
Base-Base interactions energy: -45.328
where: short stacking energy: -44.293
Base-Backbone interact. energy: -0.712
local terms energy: -58.732154
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -5.261
tors. eta vs tors. theta energy: -11.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -75.951841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.951841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.951841 (E_RNA)
where:
Base-Base interactions energy: -24.168
where: short stacking energy: -19.171
Base-Backbone interact. energy: -0.381
local terms energy: -51.402755
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -12.424
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: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -80.025098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.025098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.025098 (E_RNA)
where:
Base-Base interactions energy: -27.727
where: short stacking energy: -22.827
Base-Backbone interact. energy: -0.732
local terms energy: -51.565617
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -11.198
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -2.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -84.221577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.221577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.221577 (E_RNA)
where:
Base-Base interactions energy: -37.857
where: short stacking energy: -15.982
Base-Backbone interact. energy: -0.252
local terms energy: -46.112446
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -12.133
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: 3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -192.803088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.803088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.803088 (E_RNA)
where:
Base-Base interactions energy: -125.471
where: short stacking energy: -56.307
Base-Backbone interact. energy: -0.184
local terms energy: -67.147815
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -16.978
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: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -188.722258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.722258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.722258 (E_RNA)
where:
Base-Base interactions energy: -119.362
where: short stacking energy: -60.804
Base-Backbone interact. energy: -0.005
local terms energy: -69.355825
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -19.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -183.608940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.608940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.608940 (E_RNA)
where:
Base-Base interactions energy: -112.119
where: short stacking energy: -59.648
Base-Backbone interact. energy: -0.106
local terms energy: -71.384001
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -18.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -177.202164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.202164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.202164 (E_RNA)
where:
Base-Base interactions energy: -107.861
where: short stacking energy: -52.151
Base-Backbone interact. energy: -0.046
local terms energy: -69.294910
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -13.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -173.872417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.872417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.872417 (E_RNA)
where:
Base-Base interactions energy: -123.899
where: short stacking energy: -51.097
Base-Backbone interact. energy: -0.002
local terms energy: -49.970720
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -9.246
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -8.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -189.322448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.322448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.322448 (E_RNA)
where:
Base-Base interactions energy: -114.752
where: short stacking energy: -63.390
Base-Backbone interact. energy: -0.524
local terms energy: -74.046847
where:
bonds (distance) C4'-P energy: -15.423
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -18.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -115.571377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.571377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.571377 (E_RNA)
where:
Base-Base interactions energy: -61.706
where: short stacking energy: -45.378
Base-Backbone interact. energy: 0.635
local terms energy: -54.500406
where:
bonds (distance) C4'-P energy: -6.739
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -11.017
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: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -112.192891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.192891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.192891 (E_RNA)
where:
Base-Base interactions energy: -63.894
where: short stacking energy: -29.577
Base-Backbone interact. energy: -0.010
local terms energy: -48.289027
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -6.595
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -4.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -79.235334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.235334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.235334 (E_RNA)
where:
Base-Base interactions energy: -32.389
where: short stacking energy: -28.793
Base-Backbone interact. energy: -0.074
local terms energy: -46.772616
where:
bonds (distance) C4'-P energy: -11.290
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -67.691031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.691031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.691031 (E_RNA)
where:
Base-Base interactions energy: -22.075
where: short stacking energy: -16.920
Base-Backbone interact. energy: -0.237
local terms energy: -45.378954
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -10.223
flat angles P-C4'-P energy: -4.260
tors. eta vs tors. theta energy: -1.133
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: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -201.357508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.357508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.357508 (E_RNA)
where:
Base-Base interactions energy: -126.022
where: short stacking energy: -66.636
Base-Backbone interact. energy: -0.110
local terms energy: -75.225397
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -17.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -194.361149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.361149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.361149 (E_RNA)
where:
Base-Base interactions energy: -124.045
where: short stacking energy: -56.849
Base-Backbone interact. energy: -0.042
local terms energy: -70.274305
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -16.252
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: 4
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -186.460915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.460915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.460915 (E_RNA)
where:
Base-Base interactions energy: -118.429
where: short stacking energy: -53.839
Base-Backbone interact. energy: -0.045
local terms energy: -67.987225
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -9.127
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: 4, replica: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -184.861472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.861472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.861472 (E_RNA)
where:
Base-Base interactions energy: -118.154
where: short stacking energy: -54.141
Base-Backbone interact. energy: 1.182
local terms energy: -67.889479
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -15.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -178.640200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.640200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.640200 (E_RNA)
where:
Base-Base interactions energy: -117.780
where: short stacking energy: -50.895
Base-Backbone interact. energy: -0.036
local terms energy: -60.824279
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -13.038
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: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -158.222084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.222084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.222084 (E_RNA)
where:
Base-Base interactions energy: -105.820
where: short stacking energy: -46.292
Base-Backbone interact. energy: -0.212
local terms energy: -52.189665
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -91.441342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.441342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.441342 (E_RNA)
where:
Base-Base interactions energy: -36.935
where: short stacking energy: -29.380
Base-Backbone interact. energy: -0.069
local terms energy: -54.437848
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -6.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -94.866795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.866795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.866795 (E_RNA)
where:
Base-Base interactions energy: -45.628
where: short stacking energy: -27.426
Base-Backbone interact. energy: -0.408
local terms energy: -48.830698
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -80.086574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.086574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.086574 (E_RNA)
where:
Base-Base interactions energy: -27.970
where: short stacking energy: -21.570
Base-Backbone interact. energy: 0.130
local terms energy: -52.246323
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -4.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -72.484625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.484625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.484625 (E_RNA)
where:
Base-Base interactions energy: -30.867
where: short stacking energy: -18.804
Base-Backbone interact. energy: -0.316
local terms energy: -41.302026
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: 2.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -204.635179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.635179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.635179 (E_RNA)
where:
Base-Base interactions energy: -134.812
where: short stacking energy: -58.427
Base-Backbone interact. energy: -0.223
local terms energy: -69.600438
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -8.338
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: 2, replica: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -207.521568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.521568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.521568 (E_RNA)
where:
Base-Base interactions energy: -131.345
where: short stacking energy: -71.258
Base-Backbone interact. energy: -0.647
local terms energy: -75.530044
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -21.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -187.954276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.954276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.954276 (E_RNA)
where:
Base-Base interactions energy: -116.517
where: short stacking energy: -61.807
Base-Backbone interact. energy: -0.019
local terms energy: -71.417946
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -17.265
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: 363
Temperature: 1.050000
Total energy: -191.166586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.166586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.166586 (E_RNA)
where:
Base-Base interactions energy: -124.255
where: short stacking energy: -63.683
Base-Backbone interact. energy: -0.018
local terms energy: -66.893009
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -183.823502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.823502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.823502 (E_RNA)
where:
Base-Base interactions energy: -121.479
where: short stacking energy: -57.607
Base-Backbone interact. energy: -0.126
local terms energy: -62.219319
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -11.652
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: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -95.037903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.037903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.037903 (E_RNA)
where:
Base-Base interactions energy: -35.927
where: short stacking energy: -35.927
Base-Backbone interact. energy: -0.125
local terms energy: -58.985849
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -7.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -160.863053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.863053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.863053 (E_RNA)
where:
Base-Base interactions energy: -106.534
where: short stacking energy: -49.590
Base-Backbone interact. energy: 1.103
local terms energy: -55.431889
where:
bonds (distance) C4'-P energy: -8.445
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: -9.965
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: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -97.989804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.989804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.989804 (E_RNA)
where:
Base-Base interactions energy: -39.208
where: short stacking energy: -39.154
Base-Backbone interact. energy: 0.852
local terms energy: -59.634290
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -95.805129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.805129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.805129 (E_RNA)
where:
Base-Base interactions energy: -40.283
where: short stacking energy: -30.078
Base-Backbone interact. energy: -0.249
local terms energy: -55.272758
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -80.856391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.856391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.856391 (E_RNA)
where:
Base-Base interactions energy: -35.985
where: short stacking energy: -25.440
Base-Backbone interact. energy: -0.176
local terms energy: -44.696137
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -2.524
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: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -202.362519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.362519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.362519 (E_RNA)
where:
Base-Base interactions energy: -120.503
where: short stacking energy: -57.973
Base-Backbone interact. energy: 0.507
local terms energy: -82.366162
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -21.009
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: 364
Temperature: 0.950000
Total energy: -195.874986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.874986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.874986 (E_RNA)
where:
Base-Base interactions energy: -121.505
where: short stacking energy: -62.593
Base-Backbone interact. energy: -0.001
local terms energy: -74.369157
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -10.314
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: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -193.108514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.108514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.108514 (E_RNA)
where:
Base-Base interactions energy: -125.723
where: short stacking energy: -54.714
Base-Backbone interact. energy: -0.014
local terms energy: -67.371133
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -15.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -186.436920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.436920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.436920 (E_RNA)
where:
Base-Base interactions energy: -119.006
where: short stacking energy: -49.665
Base-Backbone interact. energy: 0.461
local terms energy: -67.891866
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -19.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -183.134181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.134181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.134181 (E_RNA)
where:
Base-Base interactions energy: -115.916
where: short stacking energy: -57.265
Base-Backbone interact. energy: -0.431
local terms energy: -66.786680
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -11.441
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -16.868
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: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -92.681284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.681284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.681284 (E_RNA)
where:
Base-Base interactions energy: -48.300
where: short stacking energy: -33.863
Base-Backbone interact. energy: -0.093
local terms energy: -44.287764
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -9.373
flat angles P-C4'-P energy: -2.872
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -175.098976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.098976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.098976 (E_RNA)
where:
Base-Base interactions energy: -110.844
where: short stacking energy: -54.531
Base-Backbone interact. energy: -0.016
local terms energy: -64.238931
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -15.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -123.921013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.921013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.921013 (E_RNA)
where:
Base-Base interactions energy: -71.658
where: short stacking energy: -33.718
Base-Backbone interact. energy: -0.942
local terms energy: -51.320980
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -79.995974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.995974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.995974 (E_RNA)
where:
Base-Base interactions energy: -36.334
where: short stacking energy: -31.252
Base-Backbone interact. energy: -0.048
local terms energy: -43.614507
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -7.599
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -73.647843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.647843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.647843 (E_RNA)
where:
Base-Base interactions energy: -27.870
where: short stacking energy: -27.172
Base-Backbone interact. energy: -0.172
local terms energy: -45.605414
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -7.044
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -0.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -194.180899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.180899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.180899 (E_RNA)
where:
Base-Base interactions energy: -122.201
where: short stacking energy: -56.850
Base-Backbone interact. energy: -0.009
local terms energy: -71.971013
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -12.753
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -13.239
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: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -199.741787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.741787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.741787 (E_RNA)
where:
Base-Base interactions energy: -125.599
where: short stacking energy: -65.013
Base-Backbone interact. energy: -0.001
local terms energy: -74.141667
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.810
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: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -202.860256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.860256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.860256 (E_RNA)
where:
Base-Base interactions energy: -126.624
where: short stacking energy: -69.099
Base-Backbone interact. energy: -0.239
local terms energy: -75.997997
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -18.497
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: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -170.689864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.689864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.689864 (E_RNA)
where:
Base-Base interactions energy: -100.926
where: short stacking energy: -51.125
Base-Backbone interact. energy: -0.249
local terms energy: -69.515022
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -12.709
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -170.080827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.080827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.080827 (E_RNA)
where:
Base-Base interactions energy: -105.227
where: short stacking energy: -45.493
Base-Backbone interact. energy: -0.109
local terms energy: -64.744509
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -162.083419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.083419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.083419 (E_RNA)
where:
Base-Base interactions energy: -101.150
where: short stacking energy: -53.494
Base-Backbone interact. energy: -0.061
local terms energy: -60.871872
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -12.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -84.898729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.898729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.898729 (E_RNA)
where:
Base-Base interactions energy: -36.394
where: short stacking energy: -24.239
Base-Backbone interact. energy: -0.690
local terms energy: -47.814862
where:
bonds (distance) C4'-P energy: -11.265
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -11.978
flat angles P-C4'-P energy: -4.918
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: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -130.601878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.601878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.601878 (E_RNA)
where:
Base-Base interactions energy: -76.915
where: short stacking energy: -37.108
Base-Backbone interact. energy: -0.578
local terms energy: -53.109146
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -5.561
tors. eta vs tors. theta energy: -8.017
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: 1
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -74.282668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.282668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.282668 (E_RNA)
where:
Base-Base interactions energy: -26.085
where: short stacking energy: -22.971
Base-Backbone interact. energy: -0.004
local terms energy: -48.193646
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -9.686
flat angles P-C4'-P energy: -10.878
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: 365
Temperature: 1.350000
Total energy: -77.733400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.733400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.733400 (E_RNA)
where:
Base-Base interactions energy: -31.063
where: short stacking energy: -31.063
Base-Backbone interact. energy: -0.201
local terms energy: -46.469560
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -15.076
flat angles C4'-P-C4' energy: -7.723
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -4.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -208.465974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.465974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.465974 (E_RNA)
where:
Base-Base interactions energy: -130.978
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.307
local terms energy: -77.180336
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -13.355
tors. eta vs tors. theta energy: -20.292
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: 5
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -193.602146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.602146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.602146 (E_RNA)
where:
Base-Base interactions energy: -117.804
where: short stacking energy: -61.952
Base-Backbone interact. energy: -0.360
local terms energy: -75.438631
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -18.136
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: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -191.239636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.239636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.239636 (E_RNA)
where:
Base-Base interactions energy: -115.497
where: short stacking energy: -56.888
Base-Backbone interact. energy: -0.297
local terms energy: -75.446097
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -9.304
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: 3
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -199.138440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.138440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.138440 (E_RNA)
where:
Base-Base interactions energy: -128.091
where: short stacking energy: -57.531
Base-Backbone interact. energy: -0.061
local terms energy: -70.986851
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -166.126029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.126029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.126029 (E_RNA)
where:
Base-Base interactions energy: -97.771
where: short stacking energy: -48.890
Base-Backbone interact. energy: -1.252
local terms energy: -67.102994
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -11.423
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: 366
Temperature: 1.150000
Total energy: -188.702189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.702189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.702189 (E_RNA)
where:
Base-Base interactions energy: -118.525
where: short stacking energy: -65.367
Base-Backbone interact. energy: -0.001
local terms energy: -70.176691
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -18.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -88.762558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.762558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.762558 (E_RNA)
where:
Base-Base interactions energy: -31.886
where: short stacking energy: -31.886
Base-Backbone interact. energy: 0.064
local terms energy: -56.940666
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -7.187
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: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -99.905270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.905270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.905270 (E_RNA)
where:
Base-Base interactions energy: -40.015
where: short stacking energy: -40.515
Base-Backbone interact. energy: -0.536
local terms energy: -59.354220
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -4.789
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: 366
Temperature: 1.300000
Total energy: -78.398845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.398845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.398845 (E_RNA)
where:
Base-Base interactions energy: -19.445
where: short stacking energy: -19.445
Base-Backbone interact. energy: -0.145
local terms energy: -58.808677
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -79.291973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.291973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.291973 (E_RNA)
where:
Base-Base interactions energy: -31.952
where: short stacking energy: -24.629
Base-Backbone interact. energy: -0.264
local terms energy: -47.076123
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -8.524
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: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -195.904380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.904380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.904380 (E_RNA)
where:
Base-Base interactions energy: -122.604
where: short stacking energy: -54.282
Base-Backbone interact. energy: -0.427
local terms energy: -72.873741
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -17.168
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: 5
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -192.834770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.834770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.834770 (E_RNA)
where:
Base-Base interactions energy: -126.414
where: short stacking energy: -69.086
Base-Backbone interact. energy: -0.268
local terms energy: -66.152164
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -174.451963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.451963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.451963 (E_RNA)
where:
Base-Base interactions energy: -114.003
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.704
local terms energy: -59.744985
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -10.203
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -7.018
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -190.001857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.001857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.001857 (E_RNA)
where:
Base-Base interactions energy: -120.457
where: short stacking energy: -57.958
Base-Backbone interact. energy: -0.068
local terms energy: -69.477398
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -13.835
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: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -162.276292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.276292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.276292 (E_RNA)
where:
Base-Base interactions energy: -96.923
where: short stacking energy: -48.458
Base-Backbone interact. energy: -0.776
local terms energy: -64.576485
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -13.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -144.660459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.660459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.660459 (E_RNA)
where:
Base-Base interactions energy: -89.284
where: short stacking energy: -37.793
Base-Backbone interact. energy: -0.666
local terms energy: -54.710067
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -9.516
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -7.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -89.006369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.006369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.006369 (E_RNA)
where:
Base-Base interactions energy: -29.827
where: short stacking energy: -21.281
Base-Backbone interact. energy: -0.393
local terms energy: -58.786105
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -78.698804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.698804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.698804 (E_RNA)
where:
Base-Base interactions energy: -29.516
where: short stacking energy: -29.345
Base-Backbone interact. energy: -0.004
local terms energy: -49.178031
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -1.625
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: 9
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -85.598316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.598316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.598316 (E_RNA)
where:
Base-Base interactions energy: -29.829
where: short stacking energy: -28.975
Base-Backbone interact. energy: -0.112
local terms energy: -55.657820
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -74.621373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.621373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.621373 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -18.823
Base-Backbone interact. energy: -0.190
local terms energy: -42.875890
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -10.446
flat angles P-C4'-P energy: -6.794
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: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -193.651565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.651565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.651565 (E_RNA)
where:
Base-Base interactions energy: -114.044
where: short stacking energy: -57.128
Base-Backbone interact. energy: -0.111
local terms energy: -79.496448
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -15.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -181.556281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.556281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.556281 (E_RNA)
where:
Base-Base interactions energy: -114.626
where: short stacking energy: -51.079
Base-Backbone interact. energy: -0.284
local terms energy: -66.646594
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -9.449
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: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -196.387175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.387175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.387175 (E_RNA)
where:
Base-Base interactions energy: -126.867
where: short stacking energy: -53.162
Base-Backbone interact. energy: -0.066
local terms energy: -69.453717
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -11.227
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: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -176.300807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.300807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.300807 (E_RNA)
where:
Base-Base interactions energy: -111.231
where: short stacking energy: -48.415
Base-Backbone interact. energy: -0.147
local terms energy: -64.922913
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -170.051595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.051595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.051595 (E_RNA)
where:
Base-Base interactions energy: -103.121
where: short stacking energy: -47.070
Base-Backbone interact. energy: -0.008
local terms energy: -66.922450
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -10.844
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -9.989
tors. eta vs tors. theta energy: -15.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -172.562772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.562772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.562772 (E_RNA)
where:
Base-Base interactions energy: -106.693
where: short stacking energy: -50.262
Base-Backbone interact. energy: -0.745
local terms energy: -65.124722
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -10.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -105.248637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.248637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.248637 (E_RNA)
where:
Base-Base interactions energy: -44.394
where: short stacking energy: -41.970
Base-Backbone interact. energy: -0.061
local terms energy: -60.793981
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -9.276
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: 6
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -82.945159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.945159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.945159 (E_RNA)
where:
Base-Base interactions energy: -34.073
where: short stacking energy: -30.694
Base-Backbone interact. energy: -0.468
local terms energy: -48.404747
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -8.384
tors. eta vs tors. theta energy: -1.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -85.972139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.972139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.972139 (E_RNA)
where:
Base-Base interactions energy: -41.848
where: short stacking energy: -17.828
Base-Backbone interact. energy: -0.335
local terms energy: -43.789270
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -12.172
flat angles C4'-P-C4' energy: -6.248
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -1.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -76.058952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.058952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.058952 (E_RNA)
where:
Base-Base interactions energy: -31.180
where: short stacking energy: -30.955
Base-Backbone interact. energy: -0.922
local terms energy: -43.956981
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -8.059
flat angles P-C4'-P energy: -2.218
tors. eta vs tors. theta energy: -6.866
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: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -206.712147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.712147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.712147 (E_RNA)
where:
Base-Base interactions energy: -130.516
where: short stacking energy: -61.094
Base-Backbone interact. energy: -0.554
local terms energy: -75.642206
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -12.742
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -203.978665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.978665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.978665 (E_RNA)
where:
Base-Base interactions energy: -132.891
where: short stacking energy: -68.144
Base-Backbone interact. energy: -0.008
local terms energy: -71.079253
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -12.441
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -177.910476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.910476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.910476 (E_RNA)
where:
Base-Base interactions energy: -109.632
where: short stacking energy: -49.828
Base-Backbone interact. energy: -0.104
local terms energy: -68.175225
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -197.329746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.329746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.329746 (E_RNA)
where:
Base-Base interactions energy: -121.830
where: short stacking energy: -53.676
Base-Backbone interact. energy: 2.351
local terms energy: -77.850517
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -175.322756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.322756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.322756 (E_RNA)
where:
Base-Base interactions energy: -109.199
where: short stacking energy: -61.739
Base-Backbone interact. energy: -0.152
local terms energy: -65.972475
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -13.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -167.139550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.139550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.139550 (E_RNA)
where:
Base-Base interactions energy: -111.353
where: short stacking energy: -51.023
Base-Backbone interact. energy: -0.179
local terms energy: -55.607436
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -98.188648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.188648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.188648 (E_RNA)
where:
Base-Base interactions energy: -44.213
where: short stacking energy: -20.812
Base-Backbone interact. energy: -0.378
local terms energy: -53.597673
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -5.114
tors. eta vs tors. theta energy: -3.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -81.447771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.447771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.447771 (E_RNA)
where:
Base-Base interactions energy: -28.785
where: short stacking energy: -28.785
Base-Backbone interact. energy: -0.123
local terms energy: -52.539738
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -11.519
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -0.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -79.634175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.634175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.634175 (E_RNA)
where:
Base-Base interactions energy: -38.905
where: short stacking energy: -12.631
Base-Backbone interact. energy: -0.420
local terms energy: -40.308843
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -6.682
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: 5.014
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: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -93.564587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.564587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.564587 (E_RNA)
where:
Base-Base interactions energy: -44.135
where: short stacking energy: -25.349
Base-Backbone interact. energy: -0.193
local terms energy: -49.237410
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -8.559
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -208.486297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.486297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.486297 (E_RNA)
where:
Base-Base interactions energy: -136.059
where: short stacking energy: -61.120
Base-Backbone interact. energy: -0.268
local terms energy: -72.159600
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -189.290248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.290248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.290248 (E_RNA)
where:
Base-Base interactions energy: -120.002
where: short stacking energy: -70.584
Base-Backbone interact. energy: -0.074
local terms energy: -69.214172
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.708
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -7.707
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: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -185.627755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.627755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.627755 (E_RNA)
where:
Base-Base interactions energy: -117.301
where: short stacking energy: -56.741
Base-Backbone interact. energy: -0.228
local terms energy: -68.099280
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -15.336
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -14.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -164.108294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.108294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.108294 (E_RNA)
where:
Base-Base interactions energy: -94.946
where: short stacking energy: -52.706
Base-Backbone interact. energy: -0.032
local terms energy: -69.131122
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -11.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -173.153016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.153016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.153016 (E_RNA)
where:
Base-Base interactions energy: -108.953
where: short stacking energy: -50.434
Base-Backbone interact. energy: -0.004
local terms energy: -64.196577
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -9.400
flat angles C4'-P-C4' energy: -16.147
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -154.635264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.635264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.635264 (E_RNA)
where:
Base-Base interactions energy: -101.521
where: short stacking energy: -53.537
Base-Backbone interact. energy: -0.033
local terms energy: -53.081367
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.948
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: -11.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -107.125157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.125157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.125157 (E_RNA)
where:
Base-Base interactions energy: -38.828
where: short stacking energy: -38.828
Base-Backbone interact. energy: -0.109
local terms energy: -68.188289
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -9.549
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: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -81.491886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.491886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.491886 (E_RNA)
where:
Base-Base interactions energy: -35.543
where: short stacking energy: -35.543
Base-Backbone interact. energy: -0.187
local terms energy: -45.762183
where:
bonds (distance) C4'-P energy: -5.488
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -10.159
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -3.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -76.381529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.381529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.381529 (E_RNA)
where:
Base-Base interactions energy: -23.332
where: short stacking energy: -22.630
Base-Backbone interact. energy: -0.059
local terms energy: -52.990722
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -2.485
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: 370
Temperature: 1.350000
Total energy: -80.474366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.474366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.474366 (E_RNA)
where:
Base-Base interactions energy: -28.221
where: short stacking energy: -26.773
Base-Backbone interact. energy: -0.195
local terms energy: -52.058347
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -11.174
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -202.690289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.690289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.690289 (E_RNA)
where:
Base-Base interactions energy: -130.650
where: short stacking energy: -59.764
Base-Backbone interact. energy: -0.787
local terms energy: -71.253423
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -7.980
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -18.736
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: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -195.380998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.380998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.380998 (E_RNA)
where:
Base-Base interactions energy: -124.896
where: short stacking energy: -61.539
Base-Backbone interact. energy: 0.101
local terms energy: -70.585800
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -13.960
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: 371
Temperature: 1.000000
Total energy: -184.437026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.437026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.437026 (E_RNA)
where:
Base-Base interactions energy: -117.699
where: short stacking energy: -53.271
Base-Backbone interact. energy: -0.194
local terms energy: -66.543741
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -173.237721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.237721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.237721 (E_RNA)
where:
Base-Base interactions energy: -104.490
where: short stacking energy: -53.463
Base-Backbone interact. energy: -0.024
local terms energy: -68.723814
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -180.453734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.453734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.453734 (E_RNA)
where:
Base-Base interactions energy: -119.329
where: short stacking energy: -50.273
Base-Backbone interact. energy: 0.867
local terms energy: -61.991248
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -10.445
flat angles P-C4'-P energy: -11.803
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: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -164.549286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.549286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.549286 (E_RNA)
where:
Base-Base interactions energy: -95.004
where: short stacking energy: -47.407
Base-Backbone interact. energy: -0.489
local terms energy: -69.056629
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -11.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -89.446730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.446730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.446730 (E_RNA)
where:
Base-Base interactions energy: -34.962
where: short stacking energy: -31.165
Base-Backbone interact. energy: 1.713
local terms energy: -56.197641
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -87.896476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.896476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.896476 (E_RNA)
where:
Base-Base interactions energy: -41.891
where: short stacking energy: -23.902
Base-Backbone interact. energy: -0.426
local terms energy: -45.579171
where:
bonds (distance) C4'-P energy: -8.994
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -86.232380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.232380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.232380 (E_RNA)
where:
Base-Base interactions energy: -49.329
where: short stacking energy: -27.631
Base-Backbone interact. energy: -0.091
local terms energy: -36.812430
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -8.285
flat angles C4'-P-C4' energy: -8.131
flat angles P-C4'-P energy: -5.814
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -70.376855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.376855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.376855 (E_RNA)
where:
Base-Base interactions energy: -21.245
where: short stacking energy: -16.629
Base-Backbone interact. energy: -0.248
local terms energy: -48.884463
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -4.454
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -194.151498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.151498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.151498 (E_RNA)
where:
Base-Base interactions energy: -117.601
where: short stacking energy: -63.435
Base-Backbone interact. energy: -0.053
local terms energy: -76.497541
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -10.298
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: 2, replica: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -198.499049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.499049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.499049 (E_RNA)
where:
Base-Base interactions energy: -128.810
where: short stacking energy: -58.246
Base-Backbone interact. energy: -0.158
local terms energy: -69.531434
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -12.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -178.298107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.298107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.298107 (E_RNA)
where:
Base-Base interactions energy: -113.088
where: short stacking energy: -56.826
Base-Backbone interact. energy: -0.013
local terms energy: -65.196541
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -13.237
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: 4, replica: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -177.127098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.127098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.127098 (E_RNA)
where:
Base-Base interactions energy: -114.931
where: short stacking energy: -44.798
Base-Backbone interact. energy: -0.008
local terms energy: -62.187832
where:
bonds (distance) C4'-P energy: -16.909
bonds (distance) P-C4' energy: -11.729
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -169.956660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.956660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.956660 (E_RNA)
where:
Base-Base interactions energy: -112.802
where: short stacking energy: -51.226
Base-Backbone interact. energy: -0.016
local terms energy: -57.139009
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -6.814
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -157.439491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.439491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.439491 (E_RNA)
where:
Base-Base interactions energy: -92.271
where: short stacking energy: -50.373
Base-Backbone interact. energy: -0.002
local terms energy: -65.166157
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -10.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -95.978424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.978424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.978424 (E_RNA)
where:
Base-Base interactions energy: -47.728
where: short stacking energy: -32.848
Base-Backbone interact. energy: -0.929
local terms energy: -47.322088
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -4.919
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: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -91.647812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.647812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.647812 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -32.726
Base-Backbone interact. energy: -0.095
local terms energy: -58.826292
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -5.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -79.199825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.199825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.199825 (E_RNA)
where:
Base-Base interactions energy: -31.876
where: short stacking energy: -25.540
Base-Backbone interact. energy: -0.067
local terms energy: -47.257240
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -2.239
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -91.794132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.794132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.794132 (E_RNA)
where:
Base-Base interactions energy: -44.213
where: short stacking energy: -28.044
Base-Backbone interact. energy: -1.313
local terms energy: -46.268204
where:
bonds (distance) C4'-P energy: -8.288
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -3.250
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: 1, replica: 10
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -203.895356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.895356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.895356 (E_RNA)
where:
Base-Base interactions energy: -122.646
where: short stacking energy: -64.725
Base-Backbone interact. energy: -0.016
local terms energy: -81.233931
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -21.245
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: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -194.624745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.624745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.624745 (E_RNA)
where:
Base-Base interactions energy: -122.039
where: short stacking energy: -58.102
Base-Backbone interact. energy: -1.344
local terms energy: -71.242184
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -14.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -198.774945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.774945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.774945 (E_RNA)
where:
Base-Base interactions energy: -125.363
where: short stacking energy: -62.872
Base-Backbone interact. energy: -0.047
local terms energy: -73.365742
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -17.571
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: 4, replica: 8
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -181.128528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.128528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.128528 (E_RNA)
where:
Base-Base interactions energy: -112.739
where: short stacking energy: -56.821
Base-Backbone interact. energy: -0.435
local terms energy: -67.954666
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -13.481
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: 373
Temperature: 1.100000
Total energy: -177.436311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.436311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.436311 (E_RNA)
where:
Base-Base interactions energy: -112.912
where: short stacking energy: -57.223
Base-Backbone interact. energy: -0.002
local terms energy: -64.521607
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -3.933
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: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -180.250318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.250318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.250318 (E_RNA)
where:
Base-Base interactions energy: -112.829
where: short stacking energy: -59.011
Base-Backbone interact. energy: -0.008
local terms energy: -67.412717
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -13.463
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: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -85.840912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.840912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.840912 (E_RNA)
where:
Base-Base interactions energy: -32.718
where: short stacking energy: -30.902
Base-Backbone interact. energy: -0.174
local terms energy: -52.947967
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: -4.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -95.420243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.420243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.420243 (E_RNA)
where:
Base-Base interactions energy: -39.604
where: short stacking energy: -38.150
Base-Backbone interact. energy: -0.007
local terms energy: -55.809104
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -10.057
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -9.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -83.101029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.101029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.101029 (E_RNA)
where:
Base-Base interactions energy: -30.471
where: short stacking energy: -30.471
Base-Backbone interact. energy: -0.173
local terms energy: -52.456922
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -4.053
tors. eta vs tors. theta energy: -7.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -69.310648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.310648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.310648 (E_RNA)
where:
Base-Base interactions energy: -25.475
where: short stacking energy: -12.716
Base-Backbone interact. energy: -0.237
local terms energy: -43.598118
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: 5.987
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: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -205.308968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.308968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.308968 (E_RNA)
where:
Base-Base interactions energy: -125.555
where: short stacking energy: -61.536
Base-Backbone interact. energy: -0.560
local terms energy: -79.194454
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -20.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -203.973858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.973858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.973858 (E_RNA)
where:
Base-Base interactions energy: -130.057
where: short stacking energy: -56.852
Base-Backbone interact. energy: -0.020
local terms energy: -73.896831
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -16.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -186.713502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.713502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.713502 (E_RNA)
where:
Base-Base interactions energy: -122.204
where: short stacking energy: -55.965
Base-Backbone interact. energy: -0.332
local terms energy: -64.178179
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -10.681
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: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -179.417330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.417330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.417330 (E_RNA)
where:
Base-Base interactions energy: -104.768
where: short stacking energy: -51.952
Base-Backbone interact. energy: -0.003
local terms energy: -74.646193
where:
bonds (distance) C4'-P energy: -16.960
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -174.394781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.394781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.394781 (E_RNA)
where:
Base-Base interactions energy: -110.393
where: short stacking energy: -44.363
Base-Backbone interact. energy: 0.610
local terms energy: -64.611150
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -12.935
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: 6, replica: 3
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -154.074898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.074898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.074898 (E_RNA)
where:
Base-Base interactions energy: -97.158
where: short stacking energy: -44.338
Base-Backbone interact. energy: -0.006
local terms energy: -56.910869
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -89.887683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.887683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.887683 (E_RNA)
where:
Base-Base interactions energy: -36.884
where: short stacking energy: -32.107
Base-Backbone interact. energy: -0.276
local terms energy: -52.727347
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -9.749
flat angles C4'-P-C4' energy: -15.162
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -101.503767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.503767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.503767 (E_RNA)
where:
Base-Base interactions energy: -54.820
where: short stacking energy: -33.859
Base-Backbone interact. energy: 2.344
local terms energy: -49.027941
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -4.591
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: 374
Temperature: 1.300000
Total energy: -90.375016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.375016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.375016 (E_RNA)
where:
Base-Base interactions energy: -30.922
where: short stacking energy: -29.415
Base-Backbone interact. energy: 0.360
local terms energy: -59.813384
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -78.733548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.733548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.733548 (E_RNA)
where:
Base-Base interactions energy: -29.722
where: short stacking energy: -29.722
Base-Backbone interact. energy: -0.030
local terms energy: -48.981594
where:
bonds (distance) C4'-P energy: -10.236
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -4.338
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: 1, replica: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -204.113078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.113078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.113078 (E_RNA)
where:
Base-Base interactions energy: -127.604
where: short stacking energy: -62.987
Base-Backbone interact. energy: -0.041
local terms energy: -76.467783
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -194.441243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.441243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.441243 (E_RNA)
where:
Base-Base interactions energy: -125.125
where: short stacking energy: -49.330
Base-Backbone interact. energy: -0.144
local terms energy: -69.172330
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -181.512575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.512575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.512575 (E_RNA)
where:
Base-Base interactions energy: -110.662
where: short stacking energy: -55.698
Base-Backbone interact. energy: -0.030
local terms energy: -70.821086
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -10.815
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: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -179.769768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.769768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.769768 (E_RNA)
where:
Base-Base interactions energy: -112.617
where: short stacking energy: -52.287
Base-Backbone interact. energy: -0.249
local terms energy: -66.903903
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -13.347
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: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -178.050516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.050516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.050516 (E_RNA)
where:
Base-Base interactions energy: -120.246
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.013
local terms energy: -57.790675
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -5.563
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -154.715027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.715027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.715027 (E_RNA)
where:
Base-Base interactions energy: -93.021
where: short stacking energy: -45.340
Base-Backbone interact. energy: -0.084
local terms energy: -61.610111
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -8.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -90.266690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.266690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.266690 (E_RNA)
where:
Base-Base interactions energy: -30.390
where: short stacking energy: -30.390
Base-Backbone interact. energy: -0.205
local terms energy: -59.671960
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -6.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -102.027476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.027476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.027476 (E_RNA)
where:
Base-Base interactions energy: -49.771
where: short stacking energy: -24.270
Base-Backbone interact. energy: -0.064
local terms energy: -52.191868
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.025
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -79.911206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.911206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.911206 (E_RNA)
where:
Base-Base interactions energy: -26.944
where: short stacking energy: -26.944
Base-Backbone interact. energy: -0.432
local terms energy: -52.535500
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -74.989583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.989583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.989583 (E_RNA)
where:
Base-Base interactions energy: -30.620
where: short stacking energy: -30.245
Base-Backbone interact. energy: 0.951
local terms energy: -45.320978
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -7.832
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -2.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -204.552137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.552137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.552137 (E_RNA)
where:
Base-Base interactions energy: -132.945
where: short stacking energy: -67.818
Base-Backbone interact. energy: -0.009
local terms energy: -71.598066
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -197.668145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.668145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.668145 (E_RNA)
where:
Base-Base interactions energy: -129.969
where: short stacking energy: -70.279
Base-Backbone interact. energy: -0.126
local terms energy: -67.573310
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -20.608
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: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -187.471573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.471573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.471573 (E_RNA)
where:
Base-Base interactions energy: -114.280
where: short stacking energy: -66.077
Base-Backbone interact. energy: -0.043
local terms energy: -73.148638
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -17.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -185.409328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.409328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.409328 (E_RNA)
where:
Base-Base interactions energy: -130.362
where: short stacking energy: -62.252
Base-Backbone interact. energy: -0.035
local terms energy: -55.012940
where:
bonds (distance) C4'-P energy: -9.466
bonds (distance) P-C4' energy: -8.278
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -14.222
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: 3
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -183.255592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.255592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.255592 (E_RNA)
where:
Base-Base interactions energy: -118.900
where: short stacking energy: -61.437
Base-Backbone interact. energy: -0.233
local terms energy: -64.122984
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -5.521
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -165.393533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.393533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.393533 (E_RNA)
where:
Base-Base interactions energy: -98.924
where: short stacking energy: -51.976
Base-Backbone interact. energy: -0.091
local terms energy: -66.378862
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -14.690
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: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -94.484441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.484441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.484441 (E_RNA)
where:
Base-Base interactions energy: -39.328
where: short stacking energy: -36.518
Base-Backbone interact. energy: 0.427
local terms energy: -55.583999
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -12.466
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -8.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -84.311545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.311545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.311545 (E_RNA)
where:
Base-Base interactions energy: -31.839
where: short stacking energy: -23.806
Base-Backbone interact. energy: 0.124
local terms energy: -52.595944
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -11.893
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: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -93.469997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.469997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.469997 (E_RNA)
where:
Base-Base interactions energy: -45.224
where: short stacking energy: -43.854
Base-Backbone interact. energy: -0.022
local terms energy: -48.224022
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -9.365
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -4.174
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: 9
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -75.078792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.078792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.078792 (E_RNA)
where:
Base-Base interactions energy: -22.323
where: short stacking energy: -18.356
Base-Backbone interact. energy: -0.469
local terms energy: -52.287023
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -197.294837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.294837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.294837 (E_RNA)
where:
Base-Base interactions energy: -129.345
where: short stacking energy: -62.509
Base-Backbone interact. energy: -0.161
local terms energy: -67.788761
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -16.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -190.957714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.957714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.957714 (E_RNA)
where:
Base-Base interactions energy: -120.957
where: short stacking energy: -60.024
Base-Backbone interact. energy: 1.580
local terms energy: -71.580066
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -194.592038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.592038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.592038 (E_RNA)
where:
Base-Base interactions energy: -126.345
where: short stacking energy: -56.629
Base-Backbone interact. energy: -0.437
local terms energy: -67.810430
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -175.738532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.738532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.738532 (E_RNA)
where:
Base-Base interactions energy: -112.670
where: short stacking energy: -61.828
Base-Backbone interact. energy: -0.065
local terms energy: -63.003224
where:
bonds (distance) C4'-P energy: -8.983
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -7.338
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: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -180.824878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.824878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.824878 (E_RNA)
where:
Base-Base interactions energy: -115.090
where: short stacking energy: -52.971
Base-Backbone interact. energy: -0.724
local terms energy: -65.010982
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -160.535299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.535299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.535299 (E_RNA)
where:
Base-Base interactions energy: -99.010
where: short stacking energy: -44.899
Base-Backbone interact. energy: -0.230
local terms energy: -61.295468
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -12.056
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -10.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -99.747169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.747169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.747169 (E_RNA)
where:
Base-Base interactions energy: -46.506
where: short stacking energy: -30.134
Base-Backbone interact. energy: 0.905
local terms energy: -54.146964
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -13.368
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -84.980539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.980539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.980539 (E_RNA)
where:
Base-Base interactions energy: -29.467
where: short stacking energy: -29.467
Base-Backbone interact. energy: -0.101
local terms energy: -55.412030
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -2.827
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: 1
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -98.582318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.582318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.582318 (E_RNA)
where:
Base-Base interactions energy: -41.923
where: short stacking energy: -30.703
Base-Backbone interact. energy: -2.016
local terms energy: -54.643538
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -6.017
tors. eta vs tors. theta energy: -6.173
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: 9
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -77.437935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.437935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.437935 (E_RNA)
where:
Base-Base interactions energy: -31.013
where: short stacking energy: -21.368
Base-Backbone interact. energy: -0.960
local terms energy: -45.465496
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: 2.849
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: 1, replica: 4
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -200.754919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.754919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.754919 (E_RNA)
where:
Base-Base interactions energy: -126.509
where: short stacking energy: -60.372
Base-Backbone interact. energy: -0.081
local terms energy: -74.165437
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -193.629390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.629390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.629390 (E_RNA)
where:
Base-Base interactions energy: -115.132
where: short stacking energy: -67.911
Base-Backbone interact. energy: -0.726
local terms energy: -77.771630
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -180.523047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.523047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.523047 (E_RNA)
where:
Base-Base interactions energy: -118.571
where: short stacking energy: -46.229
Base-Backbone interact. energy: -0.219
local terms energy: -61.733354
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -196.744192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.744192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.744192 (E_RNA)
where:
Base-Base interactions energy: -124.154
where: short stacking energy: -61.128
Base-Backbone interact. energy: -0.110
local terms energy: -72.480136
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -174.237938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.237938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.237938 (E_RNA)
where:
Base-Base interactions energy: -114.520
where: short stacking energy: -54.056
Base-Backbone interact. energy: 0.749
local terms energy: -60.467147
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -164.255361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.255361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.255361 (E_RNA)
where:
Base-Base interactions energy: -99.275
where: short stacking energy: -53.702
Base-Backbone interact. energy: -0.004
local terms energy: -64.976824
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -8.432
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: 7, replica: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -87.325663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.325663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.325663 (E_RNA)
where:
Base-Base interactions energy: -30.437
where: short stacking energy: -27.596
Base-Backbone interact. energy: -0.091
local terms energy: -56.798157
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -9.141
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: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -92.017047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.017047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.017047 (E_RNA)
where:
Base-Base interactions energy: -48.397
where: short stacking energy: -28.243
Base-Backbone interact. energy: 0.229
local terms energy: -43.848665
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: 2.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -85.925524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.925524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.925524 (E_RNA)
where:
Base-Base interactions energy: -41.342
where: short stacking energy: -24.437
Base-Backbone interact. energy: 1.312
local terms energy: -45.895072
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -6.565
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -76.798712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.798712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.798712 (E_RNA)
where:
Base-Base interactions energy: -23.513
where: short stacking energy: -22.170
Base-Backbone interact. energy: -0.267
local terms energy: -53.018172
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -10.651
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: 1, replica: 4
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -203.274782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.274782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.274782 (E_RNA)
where:
Base-Base interactions energy: -130.268
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.048
local terms energy: -72.959184
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -196.158687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.158687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.158687 (E_RNA)
where:
Base-Base interactions energy: -120.649
where: short stacking energy: -63.070
Base-Backbone interact. energy: -0.001
local terms energy: -75.508750
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -194.098161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.098161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.098161 (E_RNA)
where:
Base-Base interactions energy: -125.867
where: short stacking energy: -60.488
Base-Backbone interact. energy: -0.019
local terms energy: -68.212690
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -184.692925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.692925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.692925 (E_RNA)
where:
Base-Base interactions energy: -114.872
where: short stacking energy: -49.573
Base-Backbone interact. energy: -0.123
local terms energy: -69.698094
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -9.635
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: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -162.589110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.589110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.589110 (E_RNA)
where:
Base-Base interactions energy: -107.684
where: short stacking energy: -55.185
Base-Backbone interact. energy: -0.002
local terms energy: -54.902771
where:
bonds (distance) C4'-P energy: -8.285
bonds (distance) P-C4' energy: -11.822
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -178.462909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.462909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.462909 (E_RNA)
where:
Base-Base interactions energy: -117.766
where: short stacking energy: -50.835
Base-Backbone interact. energy: -0.101
local terms energy: -60.596045
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -11.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -84.376696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.376696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.376696 (E_RNA)
where:
Base-Base interactions energy: -31.261
where: short stacking energy: -24.435
Base-Backbone interact. energy: -0.455
local terms energy: -52.660690
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.027
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: 8, replica: 9
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -89.906823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.906823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.906823 (E_RNA)
where:
Base-Base interactions energy: -41.674
where: short stacking energy: -20.809
Base-Backbone interact. energy: -0.688
local terms energy: -47.544361
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: 1.821
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: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -95.038507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.038507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.038507 (E_RNA)
where:
Base-Base interactions energy: -39.680
where: short stacking energy: -30.928
Base-Backbone interact. energy: 0.365
local terms energy: -55.723703
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -6.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -74.771726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.771726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.771726 (E_RNA)
where:
Base-Base interactions energy: -30.626
where: short stacking energy: -31.026
Base-Backbone interact. energy: -0.075
local terms energy: -44.071151
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -5.238
tors. eta vs tors. theta energy: -1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -205.457645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.457645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.457645 (E_RNA)
where:
Base-Base interactions energy: -126.718
where: short stacking energy: -59.468
Base-Backbone interact. energy: -0.139
local terms energy: -78.601108
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -19.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -189.430386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.430386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.430386 (E_RNA)
where:
Base-Base interactions energy: -116.210
where: short stacking energy: -57.576
Base-Backbone interact. energy: -0.855
local terms energy: -72.366141
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -192.471798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.471798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.471798 (E_RNA)
where:
Base-Base interactions energy: -118.482
where: short stacking energy: -58.563
Base-Backbone interact. energy: -0.014
local terms energy: -73.975307
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -15.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -202.732123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.732123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.732123 (E_RNA)
where:
Base-Base interactions energy: -126.139
where: short stacking energy: -67.042
Base-Backbone interact. energy: -1.537
local terms energy: -75.056139
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -9.996
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: 5, replica: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -169.855918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.855918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.855918 (E_RNA)
where:
Base-Base interactions energy: -107.917
where: short stacking energy: -58.682
Base-Backbone interact. energy: -0.177
local terms energy: -61.762242
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -162.464845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.464845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.464845 (E_RNA)
where:
Base-Base interactions energy: -103.399
where: short stacking energy: -47.004
Base-Backbone interact. energy: -0.010
local terms energy: -59.055723
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -11.101
flat angles P-C4'-P energy: -8.499
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: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -101.037476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.037476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.037476 (E_RNA)
where:
Base-Base interactions energy: -45.012
where: short stacking energy: -43.772
Base-Backbone interact. energy: -0.052
local terms energy: -55.973519
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -7.471
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: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -75.611693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.611693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.611693 (E_RNA)
where:
Base-Base interactions energy: -22.733
where: short stacking energy: -19.401
Base-Backbone interact. energy: -0.012
local terms energy: -52.866602
where:
bonds (distance) C4'-P energy: -9.696
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -3.400
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: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -89.167530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.167530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.167530 (E_RNA)
where:
Base-Base interactions energy: -34.667
where: short stacking energy: -27.533
Base-Backbone interact. energy: -0.110
local terms energy: -54.390369
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -9.524
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -5.155
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: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -76.506835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.506835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.506835 (E_RNA)
where:
Base-Base interactions energy: -26.450
where: short stacking energy: -20.623
Base-Backbone interact. energy: -0.086
local terms energy: -49.971437
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -10.695
flat angles P-C4'-P energy: -8.518
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: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -209.262980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.262980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.262980 (E_RNA)
where:
Base-Base interactions energy: -134.208
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.095
local terms energy: -74.960074
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -9.158
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: 2, replica: 10
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -187.018376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.018376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.018376 (E_RNA)
where:
Base-Base interactions energy: -119.216
where: short stacking energy: -52.576
Base-Backbone interact. energy: -0.919
local terms energy: -66.883112
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -15.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -181.500502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.500502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.500502 (E_RNA)
where:
Base-Base interactions energy: -106.920
where: short stacking energy: -55.335
Base-Backbone interact. energy: -0.041
local terms energy: -74.539569
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.725
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -169.481861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.481861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.481861 (E_RNA)
where:
Base-Base interactions energy: -103.654
where: short stacking energy: -43.456
Base-Backbone interact. energy: 0.294
local terms energy: -66.122224
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -158.978483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.978483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.978483 (E_RNA)
where:
Base-Base interactions energy: -100.055
where: short stacking energy: -46.013
Base-Backbone interact. energy: -0.272
local terms energy: -58.652018
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -7.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -143.048784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.048784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.048784 (E_RNA)
where:
Base-Base interactions energy: -85.233
where: short stacking energy: -34.175
Base-Backbone interact. energy: -0.042
local terms energy: -57.773081
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -10.567
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: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -99.092343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.092343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.092343 (E_RNA)
where:
Base-Base interactions energy: -50.267
where: short stacking energy: -28.137
Base-Backbone interact. energy: 0.484
local terms energy: -49.309422
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -3.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -91.341866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.341866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.341866 (E_RNA)
where:
Base-Base interactions energy: -31.813
where: short stacking energy: -31.718
Base-Backbone interact. energy: -0.010
local terms energy: -59.519630
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -10.847
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -7.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -83.717365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.717365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.717365 (E_RNA)
where:
Base-Base interactions energy: -29.944
where: short stacking energy: -29.944
Base-Backbone interact. energy: -0.025
local terms energy: -53.748964
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -73.571113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.571113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.571113 (E_RNA)
where:
Base-Base interactions energy: -30.291
where: short stacking energy: -17.822
Base-Backbone interact. energy: -0.120
local terms energy: -43.160218
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -8.142
flat angles P-C4'-P energy: -0.876
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: 1, replica: 3
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -209.063003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.063003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.063003 (E_RNA)
where:
Base-Base interactions energy: -137.510
where: short stacking energy: -60.288
Base-Backbone interact. energy: -0.170
local terms energy: -71.382872
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -9.357
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: 2, replica: 10
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -180.872622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.872622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.872622 (E_RNA)
where:
Base-Base interactions energy: -112.518
where: short stacking energy: -48.201
Base-Backbone interact. energy: -0.156
local terms energy: -68.198753
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -9.874
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -189.384770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.384770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.384770 (E_RNA)
where:
Base-Base interactions energy: -120.206
where: short stacking energy: -55.874
Base-Backbone interact. energy: -0.948
local terms energy: -68.230022
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -186.004710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.004710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.004710 (E_RNA)
where:
Base-Base interactions energy: -114.947
where: short stacking energy: -52.999
Base-Backbone interact. energy: -0.075
local terms energy: -70.982957
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -7.375
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: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -170.166101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.166101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.166101 (E_RNA)
where:
Base-Base interactions energy: -103.793
where: short stacking energy: -51.494
Base-Backbone interact. energy: -0.097
local terms energy: -66.275746
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -10.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -167.842933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.842933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.842933 (E_RNA)
where:
Base-Base interactions energy: -116.777
where: short stacking energy: -45.351
Base-Backbone interact. energy: -0.030
local terms energy: -51.036116
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -3.010
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -11.133
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: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -85.597993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.597993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.597993 (E_RNA)
where:
Base-Base interactions energy: -29.997
where: short stacking energy: -29.251
Base-Backbone interact. energy: -0.302
local terms energy: -55.298518
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -13.881
tors. eta vs tors. theta energy: 2.032
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: 9
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -82.466117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.466117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.466117 (E_RNA)
where:
Base-Base interactions energy: -42.412
where: short stacking energy: -38.687
Base-Backbone interact. energy: -0.409
local terms energy: -39.644748
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -1.598
tors. eta vs tors. theta energy: -3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -74.559895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.559895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.559895 (E_RNA)
where:
Base-Base interactions energy: -36.968
where: short stacking energy: -31.096
Base-Backbone interact. energy: -0.281
local terms energy: -37.311760
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -5.039
flat angles P-C4'-P energy: -1.177
tors. eta vs tors. theta energy: -3.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -84.571130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.571130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.571130 (E_RNA)
where:
Base-Base interactions energy: -33.798
where: short stacking energy: -27.435
Base-Backbone interact. energy: -0.062
local terms energy: -50.711185
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -5.848
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: 1, replica: 3
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -199.551720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.551720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.551720 (E_RNA)
where:
Base-Base interactions energy: -128.700
where: short stacking energy: -66.915
Base-Backbone interact. energy: -0.003
local terms energy: -70.848786
where:
bonds (distance) C4'-P energy: -9.058
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -198.155082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.155082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.155082 (E_RNA)
where:
Base-Base interactions energy: -129.048
where: short stacking energy: -62.929
Base-Backbone interact. energy: -0.002
local terms energy: -69.104928
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -172.161828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.161828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.161828 (E_RNA)
where:
Base-Base interactions energy: -104.479
where: short stacking energy: -47.309
Base-Backbone interact. energy: -0.047
local terms energy: -67.636763
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -11.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -182.164177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.164177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.164177 (E_RNA)
where:
Base-Base interactions energy: -114.213
where: short stacking energy: -45.338
Base-Backbone interact. energy: -0.079
local terms energy: -67.872295
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -15.296
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: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -179.723676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.723676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.723676 (E_RNA)
where:
Base-Base interactions energy: -107.287
where: short stacking energy: -55.201
Base-Backbone interact. energy: -0.194
local terms energy: -72.241940
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -10.596
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: 6, replica: 8
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -173.884526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.884526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.884526 (E_RNA)
where:
Base-Base interactions energy: -116.727
where: short stacking energy: -47.222
Base-Backbone interact. energy: 3.503
local terms energy: -60.661051
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -14.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -90.424728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.424728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.424728 (E_RNA)
where:
Base-Base interactions energy: -32.335
where: short stacking energy: -24.470
Base-Backbone interact. energy: -0.262
local terms energy: -57.827139
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -4.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -77.533231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.533231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.533231 (E_RNA)
where:
Base-Base interactions energy: -25.971
where: short stacking energy: -25.971
Base-Backbone interact. energy: 0.023
local terms energy: -51.584823
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -74.513627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.513627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.513627 (E_RNA)
where:
Base-Base interactions energy: -25.758
where: short stacking energy: -14.854
Base-Backbone interact. energy: 2.475
local terms energy: -51.230477
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -11.419
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: 0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -80.810798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.810798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.810798 (E_RNA)
where:
Base-Base interactions energy: -25.810
where: short stacking energy: -25.345
Base-Backbone interact. energy: -0.012
local terms energy: -54.988824
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -7.966
flat angles P-C4'-P energy: -9.104
tors. eta vs tors. theta energy: -8.133
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: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -210.287874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.287874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.287874 (E_RNA)
where:
Base-Base interactions energy: -135.347
where: short stacking energy: -62.392
Base-Backbone interact. energy: -0.866
local terms energy: -74.074666
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -8.796
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: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -194.960817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.960817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.960817 (E_RNA)
where:
Base-Base interactions energy: -123.105
where: short stacking energy: -62.060
Base-Backbone interact. energy: -0.005
local terms energy: -71.850750
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -18.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -194.081210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.081210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.081210 (E_RNA)
where:
Base-Base interactions energy: -116.662
where: short stacking energy: -64.609
Base-Backbone interact. energy: -0.000
local terms energy: -77.418676
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -18.986
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: 2
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -184.401477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.401477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.401477 (E_RNA)
where:
Base-Base interactions energy: -115.977
where: short stacking energy: -45.919
Base-Backbone interact. energy: -0.005
local terms energy: -68.420096
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -13.381
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: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -182.148823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.148823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.148823 (E_RNA)
where:
Base-Base interactions energy: -114.336
where: short stacking energy: -54.165
Base-Backbone interact. energy: -0.087
local terms energy: -67.726647
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -15.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -167.583426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.583426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.583426 (E_RNA)
where:
Base-Base interactions energy: -104.235
where: short stacking energy: -49.464
Base-Backbone interact. energy: -0.173
local terms energy: -63.175176
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -14.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -97.081398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.081398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.081398 (E_RNA)
where:
Base-Base interactions energy: -46.114
where: short stacking energy: -42.849
Base-Backbone interact. energy: -0.090
local terms energy: -50.877933
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -4.120
tors. eta vs tors. theta energy: -10.754
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: 384
Temperature: 1.250000
Total energy: -83.415665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.415665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.415665 (E_RNA)
where:
Base-Base interactions energy: -35.521
where: short stacking energy: -30.857
Base-Backbone interact. energy: 0.580
local terms energy: -48.474563
where:
bonds (distance) C4'-P energy: -9.341
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -9.089
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -6.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -89.376266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.376266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.376266 (E_RNA)
where:
Base-Base interactions energy: -39.538
where: short stacking energy: -35.096
Base-Backbone interact. energy: -0.664
local terms energy: -49.174108
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -3.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -79.361727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.361727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.361727 (E_RNA)
where:
Base-Base interactions energy: -21.490
where: short stacking energy: -17.914
Base-Backbone interact. energy: -0.217
local terms energy: -57.654751
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -9.849
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: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -207.357493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.357493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.357493 (E_RNA)
where:
Base-Base interactions energy: -135.546
where: short stacking energy: -56.917
Base-Backbone interact. energy: -0.038
local terms energy: -71.773959
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -15.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -199.841447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.841447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.841447 (E_RNA)
where:
Base-Base interactions energy: -125.227
where: short stacking energy: -59.646
Base-Backbone interact. energy: -0.028
local terms energy: -74.586209
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -19.642
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: 10
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -189.147013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.147013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.147013 (E_RNA)
where:
Base-Base interactions energy: -118.592
where: short stacking energy: -59.833
Base-Backbone interact. energy: -0.013
local terms energy: -70.542038
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -174.025777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.025777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.025777 (E_RNA)
where:
Base-Base interactions energy: -113.718
where: short stacking energy: -49.138
Base-Backbone interact. energy: -1.161
local terms energy: -59.146505
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -8.110
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: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -160.562186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.562186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.562186 (E_RNA)
where:
Base-Base interactions energy: -100.742
where: short stacking energy: -46.980
Base-Backbone interact. energy: -0.098
local terms energy: -59.722172
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -5.491
tors. eta vs tors. theta energy: -12.026
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: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -169.412033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.412033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.412033 (E_RNA)
where:
Base-Base interactions energy: -102.244
where: short stacking energy: -40.453
Base-Backbone interact. energy: -0.562
local terms energy: -66.605722
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -13.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -98.878251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.878251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.878251 (E_RNA)
where:
Base-Base interactions energy: -40.655
where: short stacking energy: -40.655
Base-Backbone interact. energy: -0.079
local terms energy: -58.143947
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -9.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -83.096684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.096684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.096684 (E_RNA)
where:
Base-Base interactions energy: -33.725
where: short stacking energy: -23.282
Base-Backbone interact. energy: -0.249
local terms energy: -49.122874
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: 1.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -86.149975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.149975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.149975 (E_RNA)
where:
Base-Base interactions energy: -41.331
where: short stacking energy: -24.571
Base-Backbone interact. energy: 0.279
local terms energy: -45.098016
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -1.440
tors. eta vs tors. theta energy: -7.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -82.499238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.499238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.499238 (E_RNA)
where:
Base-Base interactions energy: -27.302
where: short stacking energy: -27.302
Base-Backbone interact. energy: -0.071
local terms energy: -55.125572
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -9.285
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -6.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -219.998448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.998448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.998448 (E_RNA)
where:
Base-Base interactions energy: -139.978
where: short stacking energy: -62.997
Base-Backbone interact. energy: -0.000
local terms energy: -80.019801
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -21.313
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: 4
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -181.580613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.580613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.580613 (E_RNA)
where:
Base-Base interactions energy: -118.160
where: short stacking energy: -44.627
Base-Backbone interact. energy: -0.556
local terms energy: -62.864284
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -8.811
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -14.507
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: 10
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -180.613575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.613575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.613575 (E_RNA)
where:
Base-Base interactions energy: -106.923
where: short stacking energy: -51.661
Base-Backbone interact. energy: -0.045
local terms energy: -73.645077
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -183.073046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.073046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.073046 (E_RNA)
where:
Base-Base interactions energy: -117.423
where: short stacking energy: -54.173
Base-Backbone interact. energy: 0.773
local terms energy: -66.423510
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -165.000138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.000138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.000138 (E_RNA)
where:
Base-Base interactions energy: -107.554
where: short stacking energy: -44.647
Base-Backbone interact. energy: 1.887
local terms energy: -59.332609
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -9.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -161.508068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.508068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.508068 (E_RNA)
where:
Base-Base interactions energy: -99.073
where: short stacking energy: -40.818
Base-Backbone interact. energy: -0.103
local terms energy: -62.331188
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -9.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -99.590711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.590711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.590711 (E_RNA)
where:
Base-Base interactions energy: -48.102
where: short stacking energy: -34.294
Base-Backbone interact. energy: 2.307
local terms energy: -53.796463
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -6.402
tors. eta vs tors. theta energy: -6.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -100.564181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.564181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.564181 (E_RNA)
where:
Base-Base interactions energy: -41.225
where: short stacking energy: -32.267
Base-Backbone interact. energy: -0.073
local terms energy: -59.266768
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -6.401
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: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -83.498768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.498768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.498768 (E_RNA)
where:
Base-Base interactions energy: -32.489
where: short stacking energy: -29.766
Base-Backbone interact. energy: -0.026
local terms energy: -50.983473
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -3.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -73.692182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.692182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.692182 (E_RNA)
where:
Base-Base interactions energy: -19.926
where: short stacking energy: -18.607
Base-Backbone interact. energy: -0.104
local terms energy: -53.662223
where:
bonds (distance) C4'-P energy: -10.694
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -6.954
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: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -211.151715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.151715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.151715 (E_RNA)
where:
Base-Base interactions energy: -139.230
where: short stacking energy: -57.952
Base-Backbone interact. energy: -0.005
local terms energy: -71.916986
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -20.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -198.650379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.650379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.650379 (E_RNA)
where:
Base-Base interactions energy: -126.131
where: short stacking energy: -60.532
Base-Backbone interact. energy: -0.288
local terms energy: -72.230843
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -8.212
tors. eta vs tors. theta energy: -19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -174.681930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.681930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.681930 (E_RNA)
where:
Base-Base interactions energy: -107.653
where: short stacking energy: -52.790
Base-Backbone interact. energy: -1.317
local terms energy: -65.712182
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -190.144563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.144563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.144563 (E_RNA)
where:
Base-Base interactions energy: -119.712
where: short stacking energy: -60.673
Base-Backbone interact. energy: -0.075
local terms energy: -70.357800
where:
bonds (distance) C4'-P energy: -10.615
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -17.655
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: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -162.132997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.132997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.132997 (E_RNA)
where:
Base-Base interactions energy: -97.718
where: short stacking energy: -51.312
Base-Backbone interact. energy: -0.303
local terms energy: -64.112168
where:
bonds (distance) C4'-P energy: -11.679
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -179.006053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.006053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.006053 (E_RNA)
where:
Base-Base interactions energy: -111.398
where: short stacking energy: -65.013
Base-Backbone interact. energy: -0.630
local terms energy: -66.978072
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -16.942
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: 7, replica: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -83.245107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.245107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.245107 (E_RNA)
where:
Base-Base interactions energy: -33.381
where: short stacking energy: -17.832
Base-Backbone interact. energy: -0.576
local terms energy: -49.287673
where:
bonds (distance) C4'-P energy: -9.699
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: 0.426
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: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -84.888240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.888240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.888240 (E_RNA)
where:
Base-Base interactions energy: -41.154
where: short stacking energy: -33.740
Base-Backbone interact. energy: -0.131
local terms energy: -43.603280
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -8.169
flat angles P-C4'-P energy: -7.082
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: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -72.217030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.217030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.217030 (E_RNA)
where:
Base-Base interactions energy: -28.188
where: short stacking energy: -21.969
Base-Backbone interact. energy: -0.241
local terms energy: -43.787338
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -6.455
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -76.991034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.991034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.991034 (E_RNA)
where:
Base-Base interactions energy: -23.244
where: short stacking energy: -23.244
Base-Backbone interact. energy: -0.164
local terms energy: -53.583242
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -199.111382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.111382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.111382 (E_RNA)
where:
Base-Base interactions energy: -122.680
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.094
local terms energy: -76.337372
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -206.521573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.521573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.521573 (E_RNA)
where:
Base-Base interactions energy: -131.081
where: short stacking energy: -65.808
Base-Backbone interact. energy: -0.003
local terms energy: -75.437331
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -193.221940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.221940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.221940 (E_RNA)
where:
Base-Base interactions energy: -127.711
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.427
local terms energy: -65.083680
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -14.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -175.688505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.688505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.688505 (E_RNA)
where:
Base-Base interactions energy: -115.067
where: short stacking energy: -51.107
Base-Backbone interact. energy: -1.048
local terms energy: -59.574136
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -10.514
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -13.253
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: 2
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -184.949530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.949530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.949530 (E_RNA)
where:
Base-Base interactions energy: -114.963
where: short stacking energy: -47.844
Base-Backbone interact. energy: -0.211
local terms energy: -69.775635
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -14.809
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: 6, replica: 8
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -155.472481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.472481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.472481 (E_RNA)
where:
Base-Base interactions energy: -101.007
where: short stacking energy: -61.379
Base-Backbone interact. energy: -0.014
local terms energy: -54.450932
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -12.513
flat angles C4'-P-C4' energy: -11.373
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -11.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -79.874838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.874838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.874838 (E_RNA)
where:
Base-Base interactions energy: -31.833
where: short stacking energy: -26.325
Base-Backbone interact. energy: -0.236
local terms energy: -47.806618
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: 2.850
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: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -82.620617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.620617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.620617 (E_RNA)
where:
Base-Base interactions energy: -36.904
where: short stacking energy: -36.904
Base-Backbone interact. energy: -0.111
local terms energy: -45.606347
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -73.963053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.963053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.963053 (E_RNA)
where:
Base-Base interactions energy: -23.914
where: short stacking energy: -17.754
Base-Backbone interact. energy: -0.177
local terms energy: -49.871642
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: 4.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -77.973170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.973170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.973170 (E_RNA)
where:
Base-Base interactions energy: -32.511
where: short stacking energy: -32.511
Base-Backbone interact. energy: -0.010
local terms energy: -45.451923
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: 1.214
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: 1, replica: 4
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -199.228004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.228004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.228004 (E_RNA)
where:
Base-Base interactions energy: -123.738
where: short stacking energy: -69.575
Base-Backbone interact. energy: -0.025
local terms energy: -75.464759
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -8.631
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: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -189.115866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.115866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.115866 (E_RNA)
where:
Base-Base interactions energy: -122.603
where: short stacking energy: -51.745
Base-Backbone interact. energy: -0.024
local terms energy: -66.489030
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -188.119989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.119989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.119989 (E_RNA)
where:
Base-Base interactions energy: -118.680
where: short stacking energy: -57.619
Base-Backbone interact. energy: -0.136
local terms energy: -69.303610
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -189.360391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.360391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.360391 (E_RNA)
where:
Base-Base interactions energy: -117.729
where: short stacking energy: -50.729
Base-Backbone interact. energy: -0.451
local terms energy: -71.180590
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -7.857
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -171.125409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.125409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.125409 (E_RNA)
where:
Base-Base interactions energy: -102.244
where: short stacking energy: -40.368
Base-Backbone interact. energy: -0.017
local terms energy: -68.864476
where:
bonds (distance) C4'-P energy: -11.926
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -148.110736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.110736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.110736 (E_RNA)
where:
Base-Base interactions energy: -75.571
where: short stacking energy: -37.081
Base-Backbone interact. energy: -0.722
local terms energy: -71.818341
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -12.349
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: 389
Temperature: 1.200000
Total energy: -105.251933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.251933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.251933 (E_RNA)
where:
Base-Base interactions energy: -48.895
where: short stacking energy: -43.554
Base-Backbone interact. energy: -0.141
local terms energy: -56.215899
where:
bonds (distance) C4'-P energy: -6.699
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -94.800278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.800278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.800278 (E_RNA)
where:
Base-Base interactions energy: -47.125
where: short stacking energy: -32.843
Base-Backbone interact. energy: -0.174
local terms energy: -47.500899
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -3.693
tors. eta vs tors. theta energy: -1.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -87.924404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.924404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.924404 (E_RNA)
where:
Base-Base interactions energy: -34.299
where: short stacking energy: -33.795
Base-Backbone interact. energy: -0.160
local terms energy: -53.464740
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -10.858
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -75.963509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.963509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.963509 (E_RNA)
where:
Base-Base interactions energy: -23.111
where: short stacking energy: -23.411
Base-Backbone interact. energy: -0.082
local terms energy: -52.770772
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -10.760
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: 1, replica: 5
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -194.161457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.161457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.161457 (E_RNA)
where:
Base-Base interactions energy: -117.926
where: short stacking energy: -60.687
Base-Backbone interact. energy: -0.633
local terms energy: -75.603040
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -214.726092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.726092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.726092 (E_RNA)
where:
Base-Base interactions energy: -139.280
where: short stacking energy: -54.072
Base-Backbone interact. energy: -0.037
local terms energy: -75.408787
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -198.763352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.763352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.763352 (E_RNA)
where:
Base-Base interactions energy: -127.346
where: short stacking energy: -57.019
Base-Backbone interact. energy: -0.048
local terms energy: -71.369689
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -6.505
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -182.307917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.307917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.307917 (E_RNA)
where:
Base-Base interactions energy: -119.803
where: short stacking energy: -50.341
Base-Backbone interact. energy: -0.640
local terms energy: -61.864752
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -6.699
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -173.979585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.979585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.979585 (E_RNA)
where:
Base-Base interactions energy: -104.634
where: short stacking energy: -52.514
Base-Backbone interact. energy: -0.249
local terms energy: -69.096657
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -12.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -162.985132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.985132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.985132 (E_RNA)
where:
Base-Base interactions energy: -90.953
where: short stacking energy: -41.244
Base-Backbone interact. energy: -0.171
local terms energy: -71.861221
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -16.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -96.654267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.654267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.654267 (E_RNA)
where:
Base-Base interactions energy: -41.652
where: short stacking energy: -41.652
Base-Backbone interact. energy: -0.895
local terms energy: -54.107752
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -8.852
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: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -90.089273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.089273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.089273 (E_RNA)
where:
Base-Base interactions energy: -42.744
where: short stacking energy: -28.011
Base-Backbone interact. energy: -0.053
local terms energy: -47.291771
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -81.980620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.980620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.980620 (E_RNA)
where:
Base-Base interactions energy: -27.684
where: short stacking energy: -24.472
Base-Backbone interact. energy: -0.059
local terms energy: -54.237693
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -9.463
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -77.017400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.017400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.017400 (E_RNA)
where:
Base-Base interactions energy: -31.078
where: short stacking energy: -21.753
Base-Backbone interact. energy: -0.565
local terms energy: -45.375092
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -0.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -190.909402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.909402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.909402 (E_RNA)
where:
Base-Base interactions energy: -123.490
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.020
local terms energy: -67.399064
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -14.692
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -15.310
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: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -204.719431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.719431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.719431 (E_RNA)
where:
Base-Base interactions energy: -129.115
where: short stacking energy: -58.636
Base-Backbone interact. energy: -0.047
local terms energy: -75.557382
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -15.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -178.932314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.932314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.932314 (E_RNA)
where:
Base-Base interactions energy: -112.281
where: short stacking energy: -54.139
Base-Backbone interact. energy: -0.025
local terms energy: -66.626537
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -9.190
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: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -166.777796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.777796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.777796 (E_RNA)
where:
Base-Base interactions energy: -96.650
where: short stacking energy: -43.830
Base-Backbone interact. energy: -0.038
local terms energy: -70.090586
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -13.656
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: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -164.392685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.392685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.392685 (E_RNA)
where:
Base-Base interactions energy: -100.231
where: short stacking energy: -47.521
Base-Backbone interact. energy: -0.364
local terms energy: -63.796985
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -10.777
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: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -109.005369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.005369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.005369 (E_RNA)
where:
Base-Base interactions energy: -46.105
where: short stacking energy: -40.350
Base-Backbone interact. energy: -0.001
local terms energy: -62.899083
where:
bonds (distance) C4'-P energy: -12.537
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -11.745
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: 7, replica: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -141.545209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.545209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.545209 (E_RNA)
where:
Base-Base interactions energy: -85.165
where: short stacking energy: -39.026
Base-Backbone interact. energy: 0.063
local terms energy: -56.443020
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -11.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -75.479105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.479105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.479105 (E_RNA)
where:
Base-Base interactions energy: -27.292
where: short stacking energy: -18.538
Base-Backbone interact. energy: -0.063
local terms energy: -48.123819
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -1.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -84.947615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.947615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.947615 (E_RNA)
where:
Base-Base interactions energy: -30.958
where: short stacking energy: -23.327
Base-Backbone interact. energy: 3.829
local terms energy: -57.818570
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -3.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -77.308990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.308990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.308990 (E_RNA)
where:
Base-Base interactions energy: -28.586
where: short stacking energy: -24.208
Base-Backbone interact. energy: -0.204
local terms energy: -48.518701
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -9.048
tors. eta vs tors. theta energy: -2.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -217.609213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.609213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.609213 (E_RNA)
where:
Base-Base interactions energy: -145.439
where: short stacking energy: -57.807
Base-Backbone interact. energy: -0.033
local terms energy: -72.137773
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -190.462630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.462630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.462630 (E_RNA)
where:
Base-Base interactions energy: -114.966
where: short stacking energy: -48.090
Base-Backbone interact. energy: -0.224
local terms energy: -75.272678
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -186.610132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.610132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.610132 (E_RNA)
where:
Base-Base interactions energy: -114.928
where: short stacking energy: -63.661
Base-Backbone interact. energy: -0.071
local terms energy: -71.611005
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -9.795
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: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -176.003072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.003072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.003072 (E_RNA)
where:
Base-Base interactions energy: -108.588
where: short stacking energy: -54.637
Base-Backbone interact. energy: -0.003
local terms energy: -67.412840
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -185.224047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.224047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.224047 (E_RNA)
where:
Base-Base interactions energy: -109.180
where: short stacking energy: -56.152
Base-Backbone interact. energy: -0.012
local terms energy: -76.032278
where:
bonds (distance) C4'-P energy: -14.041
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -17.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -101.524388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.524388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.524388 (E_RNA)
where:
Base-Base interactions energy: -34.337
where: short stacking energy: -26.176
Base-Backbone interact. energy: 0.281
local terms energy: -67.468756
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -8.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -141.110120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.110120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.110120 (E_RNA)
where:
Base-Base interactions energy: -83.260
where: short stacking energy: -33.889
Base-Backbone interact. energy: -0.104
local terms energy: -57.746400
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -88.693843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.693843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.693843 (E_RNA)
where:
Base-Base interactions energy: -35.954
where: short stacking energy: -33.160
Base-Backbone interact. energy: -0.141
local terms energy: -52.598281
where:
bonds (distance) C4'-P energy: -9.265
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -4.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -82.349875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349875 (E_RNA)
where:
Base-Base interactions energy: -32.928
where: short stacking energy: -28.097
Base-Backbone interact. energy: 0.800
local terms energy: -50.222434
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -95.953563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.953563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.953563 (E_RNA)
where:
Base-Base interactions energy: -40.635
where: short stacking energy: -33.197
Base-Backbone interact. energy: -0.050
local terms energy: -55.269089
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: -8.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -221.111078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.111078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.111078 (E_RNA)
where:
Base-Base interactions energy: -145.936
where: short stacking energy: -56.935
Base-Backbone interact. energy: -0.003
local terms energy: -75.171809
where:
bonds (distance) C4'-P energy: -14.957
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -14.364
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: 2, replica: 10
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -199.519017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.519017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.519017 (E_RNA)
where:
Base-Base interactions energy: -129.105
where: short stacking energy: -53.611
Base-Backbone interact. energy: -0.702
local terms energy: -69.711664
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -16.385
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: 5
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -177.125477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.125477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.125477 (E_RNA)
where:
Base-Base interactions energy: -103.231
where: short stacking energy: -55.417
Base-Backbone interact. energy: -0.185
local terms energy: -73.708691
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -12.975
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: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -190.269964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.269964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.269964 (E_RNA)
where:
Base-Base interactions energy: -125.929
where: short stacking energy: -54.696
Base-Backbone interact. energy: -0.013
local terms energy: -64.327801
where:
bonds (distance) C4'-P energy: -9.428
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -179.941543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.941543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.941543 (E_RNA)
where:
Base-Base interactions energy: -110.827
where: short stacking energy: -52.776
Base-Backbone interact. energy: -0.075
local terms energy: -69.039908
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -15.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -176.429637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.429637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.429637 (E_RNA)
where:
Base-Base interactions energy: -119.583
where: short stacking energy: -47.463
Base-Backbone interact. energy: -0.267
local terms energy: -56.579080
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -10.440
flat angles C4'-P-C4' energy: -8.353
flat angles P-C4'-P energy: -9.676
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: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -86.185821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.185821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.185821 (E_RNA)
where:
Base-Base interactions energy: -37.179
where: short stacking energy: -26.601
Base-Backbone interact. energy: -0.302
local terms energy: -48.703941
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -85.119431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.119431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.119431 (E_RNA)
where:
Base-Base interactions energy: -34.773
where: short stacking energy: -34.773
Base-Backbone interact. energy: -0.039
local terms energy: -50.306913
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -7.130
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: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -87.586924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.586924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.586924 (E_RNA)
where:
Base-Base interactions energy: -33.727
where: short stacking energy: -33.688
Base-Backbone interact. energy: -0.099
local terms energy: -53.761242
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -78.376808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.376808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.376808 (E_RNA)
where:
Base-Base interactions energy: -32.616
where: short stacking energy: -28.819
Base-Backbone interact. energy: -0.805
local terms energy: -44.955611
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -10.829
flat angles P-C4'-P energy: -2.211
tors. eta vs tors. theta energy: -1.539
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: 394
Temperature: 0.900000
Total energy: -213.558400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.558400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.558400 (E_RNA)
where:
Base-Base interactions energy: -137.706
where: short stacking energy: -76.028
Base-Backbone interact. energy: -2.155
local terms energy: -73.698052
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.608
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: 2, replica: 10
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -195.158636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.158636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.158636 (E_RNA)
where:
Base-Base interactions energy: -124.139
where: short stacking energy: -59.060
Base-Backbone interact. energy: -0.131
local terms energy: -70.887934
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -14.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -185.294484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.294484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.294484 (E_RNA)
where:
Base-Base interactions energy: -119.080
where: short stacking energy: -58.463
Base-Backbone interact. energy: -0.031
local terms energy: -66.182718
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -14.078
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: 5
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -167.377644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.377644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.377644 (E_RNA)
where:
Base-Base interactions energy: -100.668
where: short stacking energy: -53.520
Base-Backbone interact. energy: -0.029
local terms energy: -66.681320
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -11.144
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: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -174.266413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.266413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.266413 (E_RNA)
where:
Base-Base interactions energy: -104.382
where: short stacking energy: -48.534
Base-Backbone interact. energy: -0.001
local terms energy: -69.883911
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -15.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -173.298585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.298585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.298585 (E_RNA)
where:
Base-Base interactions energy: -111.751
where: short stacking energy: -38.576
Base-Backbone interact. energy: -0.124
local terms energy: -61.423391
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -10.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -90.550900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.550900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.550900 (E_RNA)
where:
Base-Base interactions energy: -39.065
where: short stacking energy: -39.265
Base-Backbone interact. energy: -0.048
local terms energy: -51.437629
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -5.262
tors. eta vs tors. theta energy: -6.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -94.803715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.803715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.803715 (E_RNA)
where:
Base-Base interactions energy: -39.042
where: short stacking energy: -27.354
Base-Backbone interact. energy: -0.434
local terms energy: -55.327825
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -11.551
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: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -90.962221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.962221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.962221 (E_RNA)
where:
Base-Base interactions energy: -40.309
where: short stacking energy: -33.860
Base-Backbone interact. energy: -0.249
local terms energy: -50.403315
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -3.046
tors. eta vs tors. theta energy: -5.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -71.980763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.980763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.980763 (E_RNA)
where:
Base-Base interactions energy: -32.141
where: short stacking energy: -32.141
Base-Backbone interact. energy: -0.258
local terms energy: -39.582165
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -1.841
tors. eta vs tors. theta energy: 1.313
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: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -208.892100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.892100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.892100 (E_RNA)
where:
Base-Base interactions energy: -133.645
where: short stacking energy: -69.051
Base-Backbone interact. energy: -1.435
local terms energy: -73.811615
where:
bonds (distance) C4'-P energy: -9.115
bonds (distance) P-C4' energy: -18.144
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -189.948737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.948737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.948737 (E_RNA)
where:
Base-Base interactions energy: -121.918
where: short stacking energy: -52.326
Base-Backbone interact. energy: 1.297
local terms energy: -69.328054
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -15.041
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: 10
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -191.774701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.774701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.774701 (E_RNA)
where:
Base-Base interactions energy: -118.028
where: short stacking energy: -58.438
Base-Backbone interact. energy: 0.234
local terms energy: -73.980004
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -17.045
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: 4, replica: 5
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -178.335224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.335224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.335224 (E_RNA)
where:
Base-Base interactions energy: -117.579
where: short stacking energy: -57.551
Base-Backbone interact. energy: -0.015
local terms energy: -60.741149
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -4.856
tors. eta vs tors. theta energy: -15.189
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: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -157.379889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.379889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.379889 (E_RNA)
where:
Base-Base interactions energy: -109.557
where: short stacking energy: -38.382
Base-Backbone interact. energy: -0.260
local terms energy: -47.563574
where:
bonds (distance) C4'-P energy: -9.494
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -156.837211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.837211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.837211 (E_RNA)
where:
Base-Base interactions energy: -105.445
where: short stacking energy: -47.041
Base-Backbone interact. energy: -0.207
local terms energy: -51.185169
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -7.556
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -8.191
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: 7
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -89.106363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.106363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.106363 (E_RNA)
where:
Base-Base interactions energy: -31.991
where: short stacking energy: -31.991
Base-Backbone interact. energy: -0.251
local terms energy: -56.864439
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -12.983
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -72.433697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.433697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.433697 (E_RNA)
where:
Base-Base interactions energy: -18.787
where: short stacking energy: -18.704
Base-Backbone interact. energy: -0.286
local terms energy: -53.360073
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -9.502
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -4.427
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: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -81.181510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.181510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.181510 (E_RNA)
where:
Base-Base interactions energy: -37.926
where: short stacking energy: -31.553
Base-Backbone interact. energy: -0.109
local terms energy: -43.145662
where:
bonds (distance) C4'-P energy: -11.482
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -2.360
tors. eta vs tors. theta energy: -5.294
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: 10, replica: 6
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -73.135562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.135562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.135562 (E_RNA)
where:
Base-Base interactions energy: -30.489
where: short stacking energy: -15.990
Base-Backbone interact. energy: 1.453
local terms energy: -44.099667
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -5.709
tors. eta vs tors. theta energy: -2.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -198.224121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.224121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.224121 (E_RNA)
where:
Base-Base interactions energy: -124.831
where: short stacking energy: -61.184
Base-Backbone interact. energy: -0.815
local terms energy: -72.578025
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -14.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -203.993255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.993255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.993255 (E_RNA)
where:
Base-Base interactions energy: -122.961
where: short stacking energy: -67.487
Base-Backbone interact. energy: -0.046
local terms energy: -80.986354
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -21.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -177.405602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.405602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.405602 (E_RNA)
where:
Base-Base interactions energy: -112.278
where: short stacking energy: -50.704
Base-Backbone interact. energy: -0.658
local terms energy: -64.469698
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -12.869
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: 10
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -181.629590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.629590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.629590 (E_RNA)
where:
Base-Base interactions energy: -108.030
where: short stacking energy: -54.454
Base-Backbone interact. energy: -0.825
local terms energy: -72.774344
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -161.350736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.350736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.350736 (E_RNA)
where:
Base-Base interactions energy: -99.476
where: short stacking energy: -51.276
Base-Backbone interact. energy: -0.111
local terms energy: -61.763835
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -175.630575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.630575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.630575 (E_RNA)
where:
Base-Base interactions energy: -112.626
where: short stacking energy: -40.739
Base-Backbone interact. energy: -0.164
local terms energy: -62.840790
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -12.388
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: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -82.958627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.958627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.958627 (E_RNA)
where:
Base-Base interactions energy: -39.749
where: short stacking energy: -36.396
Base-Backbone interact. energy: -0.162
local terms energy: -43.047297
where:
bonds (distance) C4'-P energy: -8.986
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -7.651
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: 8, replica: 7
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -83.662487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.662487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.662487 (E_RNA)
where:
Base-Base interactions energy: -32.053
where: short stacking energy: -32.053
Base-Backbone interact. energy: -0.192
local terms energy: -51.417038
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -8.404
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: 396
Temperature: 1.300000
Total energy: -87.539681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.539681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.539681 (E_RNA)
where:
Base-Base interactions energy: -30.094
where: short stacking energy: -22.841
Base-Backbone interact. energy: -0.261
local terms energy: -57.184665
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -2.848
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: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -77.890984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.890984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.890984 (E_RNA)
where:
Base-Base interactions energy: -26.252
where: short stacking energy: -26.252
Base-Backbone interact. energy: 0.599
local terms energy: -52.237709
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -2.687
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: 4
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -206.584471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.584471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.584471 (E_RNA)
where:
Base-Base interactions energy: -133.861
where: short stacking energy: -61.814
Base-Backbone interact. energy: -0.015
local terms energy: -72.709019
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -197.496945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.496945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.496945 (E_RNA)
where:
Base-Base interactions energy: -121.645
where: short stacking energy: -60.551
Base-Backbone interact. energy: 0.020
local terms energy: -75.872264
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -21.231
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: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -171.390962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.390962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.390962 (E_RNA)
where:
Base-Base interactions energy: -110.858
where: short stacking energy: -51.128
Base-Backbone interact. energy: -0.158
local terms energy: -60.374995
where:
bonds (distance) C4'-P energy: -10.751
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -9.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -179.304159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.304159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.304159 (E_RNA)
where:
Base-Base interactions energy: -102.448
where: short stacking energy: -54.817
Base-Backbone interact. energy: -0.439
local terms energy: -76.417644
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -14.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -175.751527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.751527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.751527 (E_RNA)
where:
Base-Base interactions energy: -102.149
where: short stacking energy: -54.401
Base-Backbone interact. energy: -0.136
local terms energy: -73.466339
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -158.386926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.386926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.386926 (E_RNA)
where:
Base-Base interactions energy: -101.421
where: short stacking energy: -40.668
Base-Backbone interact. energy: -0.216
local terms energy: -56.750286
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -13.659
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -8.038
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: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -94.268819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.268819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.268819 (E_RNA)
where:
Base-Base interactions energy: -28.445
where: short stacking energy: -27.508
Base-Backbone interact. energy: -0.149
local terms energy: -65.674792
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -4.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -80.355078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.355078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.355078 (E_RNA)
where:
Base-Base interactions energy: -29.012
where: short stacking energy: -21.610
Base-Backbone interact. energy: -0.122
local terms energy: -51.221542
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -6.932
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: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -76.054951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.054951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.054951 (E_RNA)
where:
Base-Base interactions energy: -33.542
where: short stacking energy: -33.542
Base-Backbone interact. energy: 0.522
local terms energy: -43.034827
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -6.593
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -3.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -70.235989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.235989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.235989 (E_RNA)
where:
Base-Base interactions energy: -18.641
where: short stacking energy: -18.641
Base-Backbone interact. energy: -0.026
local terms energy: -51.569252
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -203.675664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.675664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.675664 (E_RNA)
where:
Base-Base interactions energy: -128.428
where: short stacking energy: -67.180
Base-Backbone interact. energy: -1.759
local terms energy: -73.488775
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -8.666
tors. eta vs tors. theta energy: -19.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -198.145228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.145228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.145228 (E_RNA)
where:
Base-Base interactions energy: -125.266
where: short stacking energy: -54.305
Base-Backbone interact. energy: -1.099
local terms energy: -71.780222
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -185.223254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.223254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.223254 (E_RNA)
where:
Base-Base interactions energy: -119.732
where: short stacking energy: -57.461
Base-Backbone interact. energy: -0.010
local terms energy: -65.481120
where:
bonds (distance) C4'-P energy: -7.852
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -16.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -189.530724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.530724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.530724 (E_RNA)
where:
Base-Base interactions energy: -122.323
where: short stacking energy: -53.486
Base-Backbone interact. energy: -0.001
local terms energy: -67.207305
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -18.310
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: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -184.804489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.804489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.804489 (E_RNA)
where:
Base-Base interactions energy: -113.627
where: short stacking energy: -58.894
Base-Backbone interact. energy: -0.132
local terms energy: -71.045274
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -9.560
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -165.756697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.756697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.756697 (E_RNA)
where:
Base-Base interactions energy: -102.369
where: short stacking energy: -44.522
Base-Backbone interact. energy: -0.638
local terms energy: -62.749419
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -13.730
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -13.780
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: 398
Temperature: 1.200000
Total energy: -130.071581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.071581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.071581 (E_RNA)
where:
Base-Base interactions energy: -75.225
where: short stacking energy: -43.271
Base-Backbone interact. energy: 0.117
local terms energy: -54.963888
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -11.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -79.425823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.425823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.425823 (E_RNA)
where:
Base-Base interactions energy: -24.064
where: short stacking energy: -24.314
Base-Backbone interact. energy: -0.969
local terms energy: -54.392900
where:
bonds (distance) C4'-P energy: -16.400
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -9.898
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -75.562860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.562860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.562860 (E_RNA)
where:
Base-Base interactions energy: -29.713
where: short stacking energy: -24.956
Base-Backbone interact. energy: -0.073
local terms energy: -45.776512
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: 0.938
tors. eta vs tors. theta energy: -1.026
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: 398
Temperature: 1.350000
Total energy: -74.813130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.813130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.813130 (E_RNA)
where:
Base-Base interactions energy: -25.938
where: short stacking energy: -26.338
Base-Backbone interact. energy: -0.634
local terms energy: -48.240429
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: 1.809
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: 399
Temperature: 0.900000
Total energy: -213.928020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.928020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.928020 (E_RNA)
where:
Base-Base interactions energy: -140.610
where: short stacking energy: -64.925
Base-Backbone interact. energy: -2.751
local terms energy: -70.567170
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -15.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -191.307668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.307668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.307668 (E_RNA)
where:
Base-Base interactions energy: -116.879
where: short stacking energy: -56.614
Base-Backbone interact. energy: -0.018
local terms energy: -74.410585
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -11.458
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: 399
Temperature: 1.000000
Total energy: -196.866817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.866817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.866817 (E_RNA)
where:
Base-Base interactions energy: -127.676
where: short stacking energy: -59.855
Base-Backbone interact. energy: -0.342
local terms energy: -68.848701
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -15.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -174.572120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.572120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.572120 (E_RNA)
where:
Base-Base interactions energy: -108.906
where: short stacking energy: -56.515
Base-Backbone interact. energy: -0.287
local terms energy: -65.379017
where:
bonds (distance) C4'-P energy: -12.288
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -177.509600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.509600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.509600 (E_RNA)
where:
Base-Base interactions energy: -113.406
where: short stacking energy: -57.779
Base-Backbone interact. energy: -0.185
local terms energy: -63.918044
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -13.145
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: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -161.217623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.217623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.217623 (E_RNA)
where:
Base-Base interactions energy: -96.911
where: short stacking energy: -49.928
Base-Backbone interact. energy: -0.002
local terms energy: -64.305346
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -18.771
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: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -88.172652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.172652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.172652 (E_RNA)
where:
Base-Base interactions energy: -37.846
where: short stacking energy: -22.208
Base-Backbone interact. energy: -0.523
local terms energy: -49.804035
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -3.684
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: 8, replica: 9
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -87.488484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.488484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.488484 (E_RNA)
where:
Base-Base interactions energy: -32.156
where: short stacking energy: -30.504
Base-Backbone interact. energy: -0.799
local terms energy: -54.533233
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -5.432
tors. eta vs tors. theta energy: -4.634
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: 399
Temperature: 1.300000
Total energy: -83.571794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.571794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.571794 (E_RNA)
where:
Base-Base interactions energy: -38.518
where: short stacking energy: -25.806
Base-Backbone interact. energy: -0.061
local terms energy: -44.992548
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -84.464150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.464150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.464150 (E_RNA)
where:
Base-Base interactions energy: -32.380
where: short stacking energy: -26.004
Base-Backbone interact. energy: -0.013
local terms energy: -52.071137
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -16.083
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -8.845
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: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -215.165784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.165784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.165784 (E_RNA)
where:
Base-Base interactions energy: -138.289
where: short stacking energy: -71.003
Base-Backbone interact. energy: -0.011
local terms energy: -76.865455
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -12.386
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: 2, replica: 5
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -202.392112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.392112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.392112 (E_RNA)
where:
Base-Base interactions energy: -130.487
where: short stacking energy: -64.030
Base-Backbone interact. energy: -0.004
local terms energy: -71.900851
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -199.068532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.068532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.068532 (E_RNA)
where:
Base-Base interactions energy: -130.712
where: short stacking energy: -66.909
Base-Backbone interact. energy: -0.051
local terms energy: -68.305466
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -174.625681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.625681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.625681 (E_RNA)
where:
Base-Base interactions energy: -105.498
where: short stacking energy: -50.125
Base-Backbone interact. energy: -0.375
local terms energy: -68.752060
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -11.353
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -13.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -190.660488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.660488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.660488 (E_RNA)
where:
Base-Base interactions energy: -121.547
where: short stacking energy: -63.019
Base-Backbone interact. energy: -0.011
local terms energy: -69.102510
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -11.189
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: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -155.627836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.627836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.627836 (E_RNA)
where:
Base-Base interactions energy: -94.741
where: short stacking energy: -44.753
Base-Backbone interact. energy: -0.029
local terms energy: -60.858311
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -13.023
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -12.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -79.431751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.431751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.431751 (E_RNA)
where:
Base-Base interactions energy: -30.878
where: short stacking energy: -24.369
Base-Backbone interact. energy: -0.196
local terms energy: -48.357624
where:
bonds (distance) C4'-P energy: -8.374
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -3.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -80.964068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.964068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.964068 (E_RNA)
where:
Base-Base interactions energy: -28.065
where: short stacking energy: -26.383
Base-Backbone interact. energy: -0.140
local terms energy: -52.758917
where:
bonds (distance) C4'-P energy: -11.369
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -4.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -82.756764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.756764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.756764 (E_RNA)
where:
Base-Base interactions energy: -31.795
where: short stacking energy: -16.558
Base-Backbone interact. energy: 0.109
local terms energy: -51.070636
where:
bonds (distance) C4'-P energy: -12.242
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -8.637
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: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -72.098960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.098960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.098960 (E_RNA)
where:
Base-Base interactions energy: -22.013
where: short stacking energy: -17.756
Base-Backbone interact. energy: 0.915
local terms energy: -51.001051
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -1.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -210.543749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.543749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.543749 (E_RNA)
where:
Base-Base interactions energy: -127.973
where: short stacking energy: -75.246
Base-Backbone interact. energy: -1.293
local terms energy: -81.277496
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -10.040
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: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -206.620911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.620911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.620911 (E_RNA)
where:
Base-Base interactions energy: -132.487
where: short stacking energy: -67.055
Base-Backbone interact. energy: -0.008
local terms energy: -74.125750
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -193.977915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.977915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.977915 (E_RNA)
where:
Base-Base interactions energy: -120.320
where: short stacking energy: -61.810
Base-Backbone interact. energy: -0.013
local terms energy: -73.645311
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -180.636979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.636979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.636979 (E_RNA)
where:
Base-Base interactions energy: -109.399
where: short stacking energy: -48.329
Base-Backbone interact. energy: -0.304
local terms energy: -70.933961
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -14.325
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: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -167.557691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.557691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.557691 (E_RNA)
where:
Base-Base interactions energy: -112.253
where: short stacking energy: -52.499
Base-Backbone interact. energy: -0.033
local terms energy: -55.271594
where:
bonds (distance) C4'-P energy: -8.004
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -4.422
tors. eta vs tors. theta energy: -12.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -138.722885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.722885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.722885 (E_RNA)
where:
Base-Base interactions energy: -74.937
where: short stacking energy: -39.268
Base-Backbone interact. energy: -0.608
local terms energy: -63.177925
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -89.234349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.234349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.234349 (E_RNA)
where:
Base-Base interactions energy: -36.920
where: short stacking energy: -31.484
Base-Backbone interact. energy: -0.013
local terms energy: -52.301658
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -8.554
flat angles P-C4'-P energy: -7.365
tors. eta vs tors. theta energy: -11.027
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: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -98.488671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.488671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.488671 (E_RNA)
where:
Base-Base interactions energy: -37.327
where: short stacking energy: -36.772
Base-Backbone interact. energy: -0.001
local terms energy: -61.160620
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -9.764
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: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -79.122330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.122330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.122330 (E_RNA)
where:
Base-Base interactions energy: -32.230
where: short stacking energy: -32.230
Base-Backbone interact. energy: -0.007
local terms energy: -46.885406
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -7.519
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -6.769
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: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -89.769284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.769284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.769284 (E_RNA)
where:
Base-Base interactions energy: -36.464
where: short stacking energy: -22.181
Base-Backbone interact. energy: -0.182
local terms energy: -53.123546
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -207.449917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.449917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.449917 (E_RNA)
where:
Base-Base interactions energy: -130.851
where: short stacking energy: -59.910
Base-Backbone interact. energy: -0.000
local terms energy: -76.598656
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -16.124
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: 5
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -203.973485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.973485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.973485 (E_RNA)
where:
Base-Base interactions energy: -126.855
where: short stacking energy: -68.039
Base-Backbone interact. energy: -0.526
local terms energy: -76.593143
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -10.826
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: 3, replica: 4
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -189.962194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.962194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.962194 (E_RNA)
where:
Base-Base interactions energy: -113.518
where: short stacking energy: -58.841
Base-Backbone interact. energy: -0.002
local terms energy: -76.443007
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -171.337070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.337070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.337070 (E_RNA)
where:
Base-Base interactions energy: -106.343
where: short stacking energy: -56.358
Base-Backbone interact. energy: -0.093
local terms energy: -64.900413
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -16.041
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: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -176.588157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.588157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.588157 (E_RNA)
where:
Base-Base interactions energy: -107.173
where: short stacking energy: -52.414
Base-Backbone interact. energy: -0.019
local terms energy: -69.396737
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -15.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -157.590669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.590669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.590669 (E_RNA)
where:
Base-Base interactions energy: -100.726
where: short stacking energy: -40.633
Base-Backbone interact. energy: 0.856
local terms energy: -57.720770
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -9.217
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: 7
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -92.155466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.155466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.155466 (E_RNA)
where:
Base-Base interactions energy: -42.658
where: short stacking energy: -23.980
Base-Backbone interact. energy: -0.407
local terms energy: -49.091040
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: 0.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -80.383069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.383069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.383069 (E_RNA)
where:
Base-Base interactions energy: -31.323
where: short stacking energy: -25.100
Base-Backbone interact. energy: -0.234
local terms energy: -48.826468
where:
bonds (distance) C4'-P energy: -10.384
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -7.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -86.486858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.486858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.486858 (E_RNA)
where:
Base-Base interactions energy: -35.003
where: short stacking energy: -30.077
Base-Backbone interact. energy: -0.180
local terms energy: -51.303205
where:
bonds (distance) C4'-P energy: -11.603
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -11.117
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: 10, replica: 6
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -70.297248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.297248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.297248 (E_RNA)
where:
Base-Base interactions energy: -19.771
where: short stacking energy: -17.809
Base-Backbone interact. energy: -0.264
local terms energy: -50.262940
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -211.076454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.076454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.076454 (E_RNA)
where:
Base-Base interactions energy: -137.954
where: short stacking energy: -66.744
Base-Backbone interact. energy: -2.633
local terms energy: -70.489505
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -20.022
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: 5
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -199.607512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.607512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.607512 (E_RNA)
where:
Base-Base interactions energy: -121.602
where: short stacking energy: -48.953
Base-Backbone interact. energy: -1.070
local terms energy: -76.934993
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -10.557
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: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -183.307763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.307763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.307763 (E_RNA)
where:
Base-Base interactions energy: -117.572
where: short stacking energy: -51.844
Base-Backbone interact. energy: 0.826
local terms energy: -66.561219
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -13.664
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: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -179.078329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.078329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.078329 (E_RNA)
where:
Base-Base interactions energy: -113.345
where: short stacking energy: -51.797
Base-Backbone interact. energy: 1.771
local terms energy: -67.504519
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -182.595863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.595863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.595863 (E_RNA)
where:
Base-Base interactions energy: -111.654
where: short stacking energy: -45.807
Base-Backbone interact. energy: -0.005
local terms energy: -70.936058
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -17.264
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: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -164.948871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.948871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.948871 (E_RNA)
where:
Base-Base interactions energy: -93.236
where: short stacking energy: -50.751
Base-Backbone interact. energy: -0.002
local terms energy: -71.711155
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -13.567
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: 403
Temperature: 1.200000
Total energy: -90.774713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.774713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.774713 (E_RNA)
where:
Base-Base interactions energy: -38.880
where: short stacking energy: -35.852
Base-Backbone interact. energy: -0.140
local terms energy: -51.754352
where:
bonds (distance) C4'-P energy: -5.450
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: -6.209
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: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -86.911614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.911614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.911614 (E_RNA)
where:
Base-Base interactions energy: -32.804
where: short stacking energy: -28.614
Base-Backbone interact. energy: 0.350
local terms energy: -54.458240
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -9.041
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: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -69.776995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.776995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.776995 (E_RNA)
where:
Base-Base interactions energy: -24.894
where: short stacking energy: -21.888
Base-Backbone interact. energy: -1.064
local terms energy: -43.818636
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: 2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -70.198038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.198038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.198038 (E_RNA)
where:
Base-Base interactions energy: -20.250
where: short stacking energy: -20.130
Base-Backbone interact. energy: -0.053
local terms energy: -49.895101
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -0.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -215.808492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.808492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.808492 (E_RNA)
where:
Base-Base interactions energy: -134.183
where: short stacking energy: -60.774
Base-Backbone interact. energy: -1.073
local terms energy: -80.552258
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -18.588
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -21.153
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: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -201.555936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.555936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.555936 (E_RNA)
where:
Base-Base interactions energy: -136.627
where: short stacking energy: -61.466
Base-Backbone interact. energy: -0.042
local terms energy: -64.886540
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -173.674173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.674173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.674173 (E_RNA)
where:
Base-Base interactions energy: -109.359
where: short stacking energy: -52.074
Base-Backbone interact. energy: -0.167
local terms energy: -64.147906
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -12.166
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: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -178.893382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.893382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.893382 (E_RNA)
where:
Base-Base interactions energy: -110.078
where: short stacking energy: -53.472
Base-Backbone interact. energy: -0.050
local terms energy: -68.764526
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -11.138
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: 5, replica: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -183.612399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.612399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.612399 (E_RNA)
where:
Base-Base interactions energy: -110.779
where: short stacking energy: -58.618
Base-Backbone interact. energy: -0.164
local terms energy: -72.669615
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -8.540
tors. eta vs tors. theta energy: -20.227
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: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -151.303266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.303266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.303266 (E_RNA)
where:
Base-Base interactions energy: -85.463
where: short stacking energy: -44.120
Base-Backbone interact. energy: -0.611
local terms energy: -65.228863
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -10.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -81.946603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.946603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.946603 (E_RNA)
where:
Base-Base interactions energy: -34.617
where: short stacking energy: -25.368
Base-Backbone interact. energy: -0.089
local terms energy: -47.240869
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -4.177
tors. eta vs tors. theta energy: 1.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -88.391082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.391082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.391082 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -30.553
Base-Backbone interact. energy: -0.289
local terms energy: -50.997567
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -4.370
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: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -80.573419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.573419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.573419 (E_RNA)
where:
Base-Base interactions energy: -34.977
where: short stacking energy: -30.684
Base-Backbone interact. energy: -0.067
local terms energy: -45.529582
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -74.291532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.291532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.291532 (E_RNA)
where:
Base-Base interactions energy: -30.413
where: short stacking energy: -23.829
Base-Backbone interact. energy: -0.069
local terms energy: -43.808947
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -3.818
tors. eta vs tors. theta energy: 1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -207.616519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.616519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.616519 (E_RNA)
where:
Base-Base interactions energy: -130.562
where: short stacking energy: -76.672
Base-Backbone interact. energy: -0.001
local terms energy: -77.054331
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -23.661
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: 5
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -201.858154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.858154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.858154 (E_RNA)
where:
Base-Base interactions energy: -132.762
where: short stacking energy: -62.178
Base-Backbone interact. energy: -0.004
local terms energy: -69.092175
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -170.965320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.965320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.965320 (E_RNA)
where:
Base-Base interactions energy: -105.973
where: short stacking energy: -48.640
Base-Backbone interact. energy: -0.009
local terms energy: -64.982754
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -11.087
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -16.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -190.446721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.446721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.446721 (E_RNA)
where:
Base-Base interactions energy: -126.798
where: short stacking energy: -63.544
Base-Backbone interact. energy: -0.699
local terms energy: -62.949023
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -5.849
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -173.689564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.689564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.689564 (E_RNA)
where:
Base-Base interactions energy: -100.949
where: short stacking energy: -55.725
Base-Backbone interact. energy: -0.405
local terms energy: -72.335156
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -92.048332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.048332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.048332 (E_RNA)
where:
Base-Base interactions energy: -37.140
where: short stacking energy: -37.140
Base-Backbone interact. energy: -0.098
local terms energy: -54.810122
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -144.066326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.066326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.066326 (E_RNA)
where:
Base-Base interactions energy: -84.593
where: short stacking energy: -43.576
Base-Backbone interact. energy: -0.198
local terms energy: -59.275094
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -14.684
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: 8, replica: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -91.074805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.074805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.074805 (E_RNA)
where:
Base-Base interactions energy: -32.676
where: short stacking energy: -32.676
Base-Backbone interact. energy: 0.265
local terms energy: -58.663461
where:
bonds (distance) C4'-P energy: -8.625
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -7.846
tors. eta vs tors. theta energy: -13.441
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: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -75.944632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.944632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.944632 (E_RNA)
where:
Base-Base interactions energy: -28.977
where: short stacking energy: -27.414
Base-Backbone interact. energy: -0.367
local terms energy: -46.600360
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -8.447
flat angles P-C4'-P energy: -7.541
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -74.504863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.504863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.504863 (E_RNA)
where:
Base-Base interactions energy: -26.605
where: short stacking energy: -12.295
Base-Backbone interact. energy: 1.218
local terms energy: -49.118440
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -11.840
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -3.630
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: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -217.936080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.936080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.936080 (E_RNA)
where:
Base-Base interactions energy: -140.983
where: short stacking energy: -56.656
Base-Backbone interact. energy: -0.003
local terms energy: -76.949737
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -198.636806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.636806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.636806 (E_RNA)
where:
Base-Base interactions energy: -122.528
where: short stacking energy: -63.802
Base-Backbone interact. energy: -0.659
local terms energy: -75.450226
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -198.883532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.883532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.883532 (E_RNA)
where:
Base-Base interactions energy: -132.332
where: short stacking energy: -58.252
Base-Backbone interact. energy: -0.108
local terms energy: -66.443032
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -18.862
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: 406
Temperature: 1.050000
Total energy: -177.429502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.429502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.429502 (E_RNA)
where:
Base-Base interactions energy: -109.066
where: short stacking energy: -52.375
Base-Backbone interact. energy: -0.046
local terms energy: -68.317857
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -14.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -180.324794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.324794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.324794 (E_RNA)
where:
Base-Base interactions energy: -117.166
where: short stacking energy: -46.086
Base-Backbone interact. energy: -0.912
local terms energy: -62.246859
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -10.616
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: 6, replica: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -80.999140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.999140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.999140 (E_RNA)
where:
Base-Base interactions energy: -26.643
where: short stacking energy: -25.844
Base-Backbone interact. energy: -0.135
local terms energy: -54.221696
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -2.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -146.760169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.760169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.760169 (E_RNA)
where:
Base-Base interactions energy: -91.188
where: short stacking energy: -47.583
Base-Backbone interact. energy: -0.159
local terms energy: -55.413182
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -79.099841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.099841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.099841 (E_RNA)
where:
Base-Base interactions energy: -27.999
where: short stacking energy: -25.589
Base-Backbone interact. energy: -0.073
local terms energy: -51.028167
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -5.781
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -9.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -78.979878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.979878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.979878 (E_RNA)
where:
Base-Base interactions energy: -34.890
where: short stacking energy: -28.030
Base-Backbone interact. energy: -0.607
local terms energy: -43.483698
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -5.349
flat angles C4'-P-C4' energy: -4.307
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -81.206301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.206301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.206301 (E_RNA)
where:
Base-Base interactions energy: -32.158
where: short stacking energy: -32.158
Base-Backbone interact. energy: -0.128
local terms energy: -48.920052
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -211.945776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.945776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.945776 (E_RNA)
where:
Base-Base interactions energy: -139.865
where: short stacking energy: -64.430
Base-Backbone interact. energy: -0.017
local terms energy: -72.063554
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -17.226
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: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -197.531285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.531285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.531285 (E_RNA)
where:
Base-Base interactions energy: -128.597
where: short stacking energy: -54.368
Base-Backbone interact. energy: -0.692
local terms energy: -68.242361
where:
bonds (distance) C4'-P energy: -11.355
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -11.032
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: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -191.234552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.234552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.234552 (E_RNA)
where:
Base-Base interactions energy: -124.516
where: short stacking energy: -56.724
Base-Backbone interact. energy: -0.003
local terms energy: -66.715606
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -18.583
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: 407
Temperature: 1.050000
Total energy: -179.511257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.511257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.511257 (E_RNA)
where:
Base-Base interactions energy: -110.190
where: short stacking energy: -63.308
Base-Backbone interact. energy: -0.007
local terms energy: -69.314186
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -17.047
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: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -176.319609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.319609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.319609 (E_RNA)
where:
Base-Base interactions energy: -101.139
where: short stacking energy: -47.537
Base-Backbone interact. energy: -0.022
local terms energy: -75.158454
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -16.408
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: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -150.698177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.698177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.698177 (E_RNA)
where:
Base-Base interactions energy: -94.782
where: short stacking energy: -39.477
Base-Backbone interact. energy: -0.445
local terms energy: -55.470976
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -8.576
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -95.436799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.436799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.436799 (E_RNA)
where:
Base-Base interactions energy: -45.041
where: short stacking energy: -35.892
Base-Backbone interact. energy: 0.828
local terms energy: -51.224584
where:
bonds (distance) C4'-P energy: -8.419
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -10.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -76.338193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.338193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.338193 (E_RNA)
where:
Base-Base interactions energy: -26.135
where: short stacking energy: -25.706
Base-Backbone interact. energy: -0.012
local terms energy: -50.191562
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -78.289521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.289521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.289521 (E_RNA)
where:
Base-Base interactions energy: -31.859
where: short stacking energy: -27.578
Base-Backbone interact. energy: 0.110
local terms energy: -46.540273
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -0.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -71.128305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.128305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.128305 (E_RNA)
where:
Base-Base interactions energy: -19.540
where: short stacking energy: -17.158
Base-Backbone interact. energy: -0.422
local terms energy: -51.166321
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -11.037
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: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -204.733912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.733912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.733912 (E_RNA)
where:
Base-Base interactions energy: -133.051
where: short stacking energy: -57.373
Base-Backbone interact. energy: -0.423
local terms energy: -71.259491
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -6.758
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: 2, replica: 5
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -202.561640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.561640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.561640 (E_RNA)
where:
Base-Base interactions energy: -120.276
where: short stacking energy: -57.174
Base-Backbone interact. energy: -0.006
local terms energy: -82.279806
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -21.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -203.521508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.521508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.521508 (E_RNA)
where:
Base-Base interactions energy: -132.102
where: short stacking energy: -63.704
Base-Backbone interact. energy: -0.080
local terms energy: -71.339272
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -19.872
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: 2
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -190.734951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.734951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.734951 (E_RNA)
where:
Base-Base interactions energy: -121.143
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.449
local terms energy: -69.142855
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -14.664
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -178.896800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.896800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.896800 (E_RNA)
where:
Base-Base interactions energy: -112.778
where: short stacking energy: -54.133
Base-Backbone interact. energy: -0.008
local terms energy: -66.110935
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -161.477215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.477215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.477215 (E_RNA)
where:
Base-Base interactions energy: -97.419
where: short stacking energy: -42.993
Base-Backbone interact. energy: -0.371
local terms energy: -63.687603
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -9.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -85.317877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.317877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.317877 (E_RNA)
where:
Base-Base interactions energy: -31.611
where: short stacking energy: -29.917
Base-Backbone interact. energy: 2.106
local terms energy: -55.812489
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -3.204
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: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -91.972786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.972786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.972786 (E_RNA)
where:
Base-Base interactions energy: -36.125
where: short stacking energy: -21.217
Base-Backbone interact. energy: -0.118
local terms energy: -55.730094
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -4.985
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: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -75.334946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.334946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.334946 (E_RNA)
where:
Base-Base interactions energy: -29.017
where: short stacking energy: -24.351
Base-Backbone interact. energy: 0.487
local terms energy: -46.804278
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -11.579
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -2.609
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: 6
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -92.940364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.940364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.940364 (E_RNA)
where:
Base-Base interactions energy: -41.276
where: short stacking energy: -40.038
Base-Backbone interact. energy: -0.149
local terms energy: -51.515833
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -6.988
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -208.053794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.053794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.053794 (E_RNA)
where:
Base-Base interactions energy: -128.695
where: short stacking energy: -70.299
Base-Backbone interact. energy: -0.062
local terms energy: -79.296625
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -207.922418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.922418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.922418 (E_RNA)
where:
Base-Base interactions energy: -131.928
where: short stacking energy: -69.319
Base-Backbone interact. energy: -0.100
local terms energy: -75.894406
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -21.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -199.833318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.833318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.833318 (E_RNA)
where:
Base-Base interactions energy: -131.395
where: short stacking energy: -58.739
Base-Backbone interact. energy: -0.306
local terms energy: -68.132366
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -10.229
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: 4, replica: 10
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -189.650481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.650481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.650481 (E_RNA)
where:
Base-Base interactions energy: -121.041
where: short stacking energy: -52.361
Base-Backbone interact. energy: -0.815
local terms energy: -67.795081
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -12.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -162.203076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.203076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.203076 (E_RNA)
where:
Base-Base interactions energy: -95.729
where: short stacking energy: -45.460
Base-Backbone interact. energy: -0.099
local terms energy: -66.375345
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -9.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -114.897183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.897183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.897183 (E_RNA)
where:
Base-Base interactions energy: -52.078
where: short stacking energy: -44.155
Base-Backbone interact. energy: -0.288
local terms energy: -62.531455
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -11.537
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: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -164.386063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.386063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.386063 (E_RNA)
where:
Base-Base interactions energy: -102.586
where: short stacking energy: -42.902
Base-Backbone interact. energy: 1.750
local terms energy: -63.549676
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -9.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -80.227512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.227512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.227512 (E_RNA)
where:
Base-Base interactions energy: -30.711
where: short stacking energy: -26.724
Base-Backbone interact. energy: -0.226
local terms energy: -49.291411
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -6.805
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: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -80.546952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.546952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.546952 (E_RNA)
where:
Base-Base interactions energy: -37.099
where: short stacking energy: -23.420
Base-Backbone interact. energy: -0.286
local terms energy: -43.162074
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -11.214
flat angles C4'-P-C4' energy: -6.714
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -71.155497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.155497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.155497 (E_RNA)
where:
Base-Base interactions energy: -23.984
where: short stacking energy: -23.984
Base-Backbone interact. energy: 0.297
local terms energy: -47.468518
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: 2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -194.586570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.586570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.586570 (E_RNA)
where:
Base-Base interactions energy: -121.231
where: short stacking energy: -62.989
Base-Backbone interact. energy: -0.053
local terms energy: -73.302321
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -17.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -194.352106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.352106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.352106 (E_RNA)
where:
Base-Base interactions energy: -122.207
where: short stacking energy: -57.074
Base-Backbone interact. energy: -0.050
local terms energy: -72.094847
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -11.622
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: 3, replica: 5
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -188.705374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.705374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.705374 (E_RNA)
where:
Base-Base interactions energy: -119.546
where: short stacking energy: -69.233
Base-Backbone interact. energy: -0.082
local terms energy: -69.077798
where:
bonds (distance) C4'-P energy: -10.546
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -16.509
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: 410
Temperature: 1.050000
Total energy: -181.290653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.290653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.290653 (E_RNA)
where:
Base-Base interactions energy: -115.302
where: short stacking energy: -57.554
Base-Backbone interact. energy: -0.405
local terms energy: -65.583698
where:
bonds (distance) C4'-P energy: -15.383
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -14.483
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: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -176.707746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.707746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.707746 (E_RNA)
where:
Base-Base interactions energy: -105.761
where: short stacking energy: -61.620
Base-Backbone interact. energy: -0.002
local terms energy: -70.945503
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -92.256991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.256991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.256991 (E_RNA)
where:
Base-Base interactions energy: -34.942
where: short stacking energy: -26.657
Base-Backbone interact. energy: -0.972
local terms energy: -56.343213
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -151.208383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.208383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.208383 (E_RNA)
where:
Base-Base interactions energy: -87.833
where: short stacking energy: -39.511
Base-Backbone interact. energy: -0.346
local terms energy: -63.029502
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -100.730456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.730456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.730456 (E_RNA)
where:
Base-Base interactions energy: -37.289
where: short stacking energy: -37.289
Base-Backbone interact. energy: -0.005
local terms energy: -63.435963
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -5.288
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -87.971549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.971549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.971549 (E_RNA)
where:
Base-Base interactions energy: -33.125
where: short stacking energy: -33.125
Base-Backbone interact. energy: -0.115
local terms energy: -54.731734
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -9.529
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: 6
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -81.410042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.410042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.410042 (E_RNA)
where:
Base-Base interactions energy: -33.198
where: short stacking energy: -26.023
Base-Backbone interact. energy: -0.171
local terms energy: -48.040366
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -8.159
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: 0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -212.309267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.309267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.309267 (E_RNA)
where:
Base-Base interactions energy: -145.722
where: short stacking energy: -65.412
Base-Backbone interact. energy: -0.031
local terms energy: -66.555783
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -8.869
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -201.491840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.491840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.491840 (E_RNA)
where:
Base-Base interactions energy: -130.670
where: short stacking energy: -59.903
Base-Backbone interact. energy: -0.019
local terms energy: -70.802729
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -16.999
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: 3
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -182.275689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.275689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.275689 (E_RNA)
where:
Base-Base interactions energy: -113.120
where: short stacking energy: -55.164
Base-Backbone interact. energy: -0.730
local terms energy: -68.425682
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -174.189262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.189262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.189262 (E_RNA)
where:
Base-Base interactions energy: -107.139
where: short stacking energy: -53.316
Base-Backbone interact. energy: -1.339
local terms energy: -65.710748
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -10.743
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -14.214
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: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -179.723362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.723362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.723362 (E_RNA)
where:
Base-Base interactions energy: -107.135
where: short stacking energy: -50.126
Base-Backbone interact. energy: -0.003
local terms energy: -72.586000
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -9.211
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: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -86.068715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.068715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.068715 (E_RNA)
where:
Base-Base interactions energy: -30.109
where: short stacking energy: -23.434
Base-Backbone interact. energy: -0.165
local terms energy: -55.794446
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -3.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -91.692716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.692716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.692716 (E_RNA)
where:
Base-Base interactions energy: -41.187
where: short stacking energy: -26.663
Base-Backbone interact. energy: -0.225
local terms energy: -50.281383
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -7.681
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: 8, replica: 7
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -80.507583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.507583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.507583 (E_RNA)
where:
Base-Base interactions energy: -38.814
where: short stacking energy: -31.636
Base-Backbone interact. energy: 0.295
local terms energy: -41.988215
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -7.556
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -96.280455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.280455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.280455 (E_RNA)
where:
Base-Base interactions energy: -39.562
where: short stacking energy: -26.058
Base-Backbone interact. energy: -0.401
local terms energy: -56.317954
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -14.516
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -71.853372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.853372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.853372 (E_RNA)
where:
Base-Base interactions energy: -32.782
where: short stacking energy: -28.517
Base-Backbone interact. energy: 1.565
local terms energy: -40.636614
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -9.547
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: 1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -201.271198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.271198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.271198 (E_RNA)
where:
Base-Base interactions energy: -131.475
where: short stacking energy: -55.886
Base-Backbone interact. energy: -0.033
local terms energy: -69.763660
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -188.116998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.116998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.116998 (E_RNA)
where:
Base-Base interactions energy: -123.608
where: short stacking energy: -49.500
Base-Backbone interact. energy: -0.029
local terms energy: -64.479674
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -185.860450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.860450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.860450 (E_RNA)
where:
Base-Base interactions energy: -124.495
where: short stacking energy: -47.988
Base-Backbone interact. energy: -0.033
local terms energy: -61.332244
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -11.615
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: 4, replica: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -174.851251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.851251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.851251 (E_RNA)
where:
Base-Base interactions energy: -108.254
where: short stacking energy: -52.622
Base-Backbone interact. energy: -0.122
local terms energy: -66.474950
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -10.462
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: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -172.034486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.034486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.034486 (E_RNA)
where:
Base-Base interactions energy: -102.201
where: short stacking energy: -44.407
Base-Backbone interact. energy: -0.549
local terms energy: -69.284826
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -14.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -85.982204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.982204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.982204 (E_RNA)
where:
Base-Base interactions energy: -32.228
where: short stacking energy: -32.228
Base-Backbone interact. energy: -0.157
local terms energy: -53.597291
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -90.502177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.502177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.502177 (E_RNA)
where:
Base-Base interactions energy: -35.776
where: short stacking energy: -35.776
Base-Backbone interact. energy: 0.025
local terms energy: -54.751530
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -5.101
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: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -90.697606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.697606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.697606 (E_RNA)
where:
Base-Base interactions energy: -31.342
where: short stacking energy: -29.643
Base-Backbone interact. energy: -0.135
local terms energy: -59.220955
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -8.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -81.235059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.235059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.235059 (E_RNA)
where:
Base-Base interactions energy: -29.667
where: short stacking energy: -20.092
Base-Backbone interact. energy: -0.266
local terms energy: -51.301711
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -9.288
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: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -82.773243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.773243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.773243 (E_RNA)
where:
Base-Base interactions energy: -34.078
where: short stacking energy: -34.078
Base-Backbone interact. energy: -0.138
local terms energy: -48.557378
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -10.692
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -210.049397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.049397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.049397 (E_RNA)
where:
Base-Base interactions energy: -129.167
where: short stacking energy: -66.994
Base-Backbone interact. energy: -1.160
local terms energy: -79.722169
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -192.916035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.916035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.916035 (E_RNA)
where:
Base-Base interactions energy: -121.262
where: short stacking energy: -53.733
Base-Backbone interact. energy: -0.074
local terms energy: -71.579728
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -14.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -192.766768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.766768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.766768 (E_RNA)
where:
Base-Base interactions energy: -120.342
where: short stacking energy: -60.239
Base-Backbone interact. energy: -0.004
local terms energy: -72.420839
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -183.955097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.955097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.955097 (E_RNA)
where:
Base-Base interactions energy: -108.104
where: short stacking energy: -53.311
Base-Backbone interact. energy: -0.165
local terms energy: -75.686805
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -15.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -173.697741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.697741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.697741 (E_RNA)
where:
Base-Base interactions energy: -102.082
where: short stacking energy: -54.658
Base-Backbone interact. energy: -0.002
local terms energy: -71.613938
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -14.000
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: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -92.823917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.823917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.823917 (E_RNA)
where:
Base-Base interactions energy: -36.137
where: short stacking energy: -36.137
Base-Backbone interact. energy: -0.607
local terms energy: -56.079237
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -83.901474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.901474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.901474 (E_RNA)
where:
Base-Base interactions energy: -30.655
where: short stacking energy: -28.409
Base-Backbone interact. energy: -0.149
local terms energy: -53.097843
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -80.456410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.456410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.456410 (E_RNA)
where:
Base-Base interactions energy: -35.222
where: short stacking energy: -23.641
Base-Backbone interact. energy: -0.336
local terms energy: -44.897870
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -4.900
tors. eta vs tors. theta energy: -4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -77.530302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.530302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.530302 (E_RNA)
where:
Base-Base interactions energy: -29.506
where: short stacking energy: -26.646
Base-Backbone interact. energy: -0.235
local terms energy: -47.789526
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -1.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -77.972915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.972915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.972915 (E_RNA)
where:
Base-Base interactions energy: -29.419
where: short stacking energy: -29.419
Base-Backbone interact. energy: -0.116
local terms energy: -48.437632
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -12.046
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -195.361836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.361836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.361836 (E_RNA)
where:
Base-Base interactions energy: -127.589
where: short stacking energy: -54.273
Base-Backbone interact. energy: 0.144
local terms energy: -67.916102
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -14.028
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -13.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -199.772540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.772540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.772540 (E_RNA)
where:
Base-Base interactions energy: -121.482
where: short stacking energy: -61.834
Base-Backbone interact. energy: -0.095
local terms energy: -78.194963
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -200.621451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.621451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.621451 (E_RNA)
where:
Base-Base interactions energy: -120.930
where: short stacking energy: -66.715
Base-Backbone interact. energy: 0.195
local terms energy: -79.886335
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -176.749972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.749972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.749972 (E_RNA)
where:
Base-Base interactions energy: -106.699
where: short stacking energy: -63.713
Base-Backbone interact. energy: -0.151
local terms energy: -69.899597
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -9.870
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: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -180.695340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.695340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.695340 (E_RNA)
where:
Base-Base interactions energy: -119.662
where: short stacking energy: -48.730
Base-Backbone interact. energy: -1.349
local terms energy: -59.685099
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -14.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -108.139649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.139649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.139649 (E_RNA)
where:
Base-Base interactions energy: -51.219
where: short stacking energy: -38.972
Base-Backbone interact. energy: -0.850
local terms energy: -56.070102
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -6.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -85.626489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.626489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.626489 (E_RNA)
where:
Base-Base interactions energy: -38.307
where: short stacking energy: -37.017
Base-Backbone interact. energy: -0.376
local terms energy: -46.943911
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -10.139
flat angles C4'-P-C4' energy: -6.536
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -89.963458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.963458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.963458 (E_RNA)
where:
Base-Base interactions energy: -41.566
where: short stacking energy: -35.884
Base-Backbone interact. energy: -0.277
local terms energy: -48.120157
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -9.620
flat angles C4'-P-C4' energy: -15.997
flat angles P-C4'-P energy: -9.039
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: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -78.184421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.184421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.184421 (E_RNA)
where:
Base-Base interactions energy: -29.522
where: short stacking energy: -16.198
Base-Backbone interact. energy: -0.146
local terms energy: -48.516446
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -12.304
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -8.085
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: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -76.189603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.189603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.189603 (E_RNA)
where:
Base-Base interactions energy: -23.396
where: short stacking energy: -22.983
Base-Backbone interact. energy: 0.510
local terms energy: -53.303848
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -10.304
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -187.758295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.758295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.758295 (E_RNA)
where:
Base-Base interactions energy: -113.043
where: short stacking energy: -56.344
Base-Backbone interact. energy: -0.034
local terms energy: -74.681786
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -202.477337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.477337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.477337 (E_RNA)
where:
Base-Base interactions energy: -127.014
where: short stacking energy: -72.068
Base-Backbone interact. energy: -0.003
local terms energy: -75.460279
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -9.012
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: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -187.949733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.949733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.949733 (E_RNA)
where:
Base-Base interactions energy: -121.441
where: short stacking energy: -58.608
Base-Backbone interact. energy: -0.021
local terms energy: -66.488222
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -19.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -181.556743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.556743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.556743 (E_RNA)
where:
Base-Base interactions energy: -115.623
where: short stacking energy: -51.232
Base-Backbone interact. energy: -0.001
local terms energy: -65.932700
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -183.660955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.660955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.660955 (E_RNA)
where:
Base-Base interactions energy: -117.927
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.002
local terms energy: -65.731727
where:
bonds (distance) C4'-P energy: -8.803
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -110.284079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.284079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.284079 (E_RNA)
where:
Base-Base interactions energy: -53.265
where: short stacking energy: -42.917
Base-Backbone interact. energy: -0.007
local terms energy: -57.011556
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -10.089
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -85.457387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.457387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.457387 (E_RNA)
where:
Base-Base interactions energy: -31.618
where: short stacking energy: -29.072
Base-Backbone interact. energy: -0.806
local terms energy: -53.033657
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -3.178
tors. eta vs tors. theta energy: -9.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -86.618216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.618216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.618216 (E_RNA)
where:
Base-Base interactions energy: -33.838
where: short stacking energy: -30.939
Base-Backbone interact. energy: -0.509
local terms energy: -52.270706
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -0.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -88.589972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.589972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.589972 (E_RNA)
where:
Base-Base interactions energy: -38.912
where: short stacking energy: -33.644
Base-Backbone interact. energy: -0.348
local terms energy: -49.330545
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -5.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -77.093959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.093959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.093959 (E_RNA)
where:
Base-Base interactions energy: -34.552
where: short stacking energy: -22.435
Base-Backbone interact. energy: -0.157
local terms energy: -42.384722
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -10.563
flat angles C4'-P-C4' energy: -10.110
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: 1.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -204.003113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.003113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.003113 (E_RNA)
where:
Base-Base interactions energy: -135.863
where: short stacking energy: -57.279
Base-Backbone interact. energy: 0.654
local terms energy: -68.794495
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -12.324
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: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -188.829743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.829743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.829743 (E_RNA)
where:
Base-Base interactions energy: -113.470
where: short stacking energy: -56.591
Base-Backbone interact. energy: -0.825
local terms energy: -74.534316
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -190.941669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.941669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.941669 (E_RNA)
where:
Base-Base interactions energy: -118.939
where: short stacking energy: -54.540
Base-Backbone interact. energy: 0.958
local terms energy: -72.960359
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -16.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -185.092393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.092393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.092393 (E_RNA)
where:
Base-Base interactions energy: -112.468
where: short stacking energy: -55.212
Base-Backbone interact. energy: -0.676
local terms energy: -71.948702
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -8.585
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: 5, replica: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -157.536979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.536979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.536979 (E_RNA)
where:
Base-Base interactions energy: -99.271
where: short stacking energy: -49.936
Base-Backbone interact. energy: 1.773
local terms energy: -60.039777
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -11.383
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: 1
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -123.987568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.987568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.987568 (E_RNA)
where:
Base-Base interactions energy: -71.261
where: short stacking energy: -39.317
Base-Backbone interact. energy: -0.202
local terms energy: -52.523623
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -7.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -93.191817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.191817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.191817 (E_RNA)
where:
Base-Base interactions energy: -37.607
where: short stacking energy: -28.015
Base-Backbone interact. energy: -0.305
local terms energy: -55.280338
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -90.901004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.901004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.901004 (E_RNA)
where:
Base-Base interactions energy: -39.799
where: short stacking energy: -32.364
Base-Backbone interact. energy: -0.292
local terms energy: -50.810204
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -6.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -81.606114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.606114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.606114 (E_RNA)
where:
Base-Base interactions energy: -28.363
where: short stacking energy: -25.708
Base-Backbone interact. energy: -0.072
local terms energy: -53.171356
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -72.790642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.790642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.790642 (E_RNA)
where:
Base-Base interactions energy: -21.446
where: short stacking energy: -15.166
Base-Backbone interact. energy: -0.224
local terms energy: -51.120959
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: 0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -204.887488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.887488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.887488 (E_RNA)
where:
Base-Base interactions energy: -129.907
where: short stacking energy: -55.399
Base-Backbone interact. energy: -0.040
local terms energy: -74.939987
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -10.003
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: 2, replica: 3
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -193.764603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.764603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.764603 (E_RNA)
where:
Base-Base interactions energy: -122.528
where: short stacking energy: -61.594
Base-Backbone interact. energy: 0.206
local terms energy: -71.442370
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -17.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -201.793319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.793319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.793319 (E_RNA)
where:
Base-Base interactions energy: -122.940
where: short stacking energy: -71.042
Base-Backbone interact. energy: 0.372
local terms energy: -79.225323
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -19.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -182.185916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.185916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.185916 (E_RNA)
where:
Base-Base interactions energy: -113.693
where: short stacking energy: -46.642
Base-Backbone interact. energy: -0.235
local terms energy: -68.258472
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -11.962
tors. eta vs tors. theta energy: -13.116
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: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -166.760576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.760576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.760576 (E_RNA)
where:
Base-Base interactions energy: -102.866
where: short stacking energy: -53.765
Base-Backbone interact. energy: -0.001
local terms energy: -63.893802
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -8.572
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: 9
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -90.547188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.547188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.547188 (E_RNA)
where:
Base-Base interactions energy: -31.560
where: short stacking energy: -31.560
Base-Backbone interact. energy: -0.089
local terms energy: -58.897852
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -90.724526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.724526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.724526 (E_RNA)
where:
Base-Base interactions energy: -43.494
where: short stacking energy: -30.046
Base-Backbone interact. energy: -0.066
local terms energy: -47.164013
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -9.917
flat angles P-C4'-P energy: -1.075
tors. eta vs tors. theta energy: -7.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -86.272133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.272133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.272133 (E_RNA)
where:
Base-Base interactions energy: -35.308
where: short stacking energy: -25.900
Base-Backbone interact. energy: -0.323
local terms energy: -50.640816
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -1.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -85.491341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.491341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.491341 (E_RNA)
where:
Base-Base interactions energy: -25.449
where: short stacking energy: -23.027
Base-Backbone interact. energy: -1.221
local terms energy: -58.821376
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -14.772
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: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -85.562863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.562863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.562863 (E_RNA)
where:
Base-Base interactions energy: -36.321
where: short stacking energy: -31.639
Base-Backbone interact. energy: -0.181
local terms energy: -49.061273
where:
bonds (distance) C4'-P energy: -10.535
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -205.800146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.800146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.800146 (E_RNA)
where:
Base-Base interactions energy: -131.625
where: short stacking energy: -69.520
Base-Backbone interact. energy: -0.003
local terms energy: -74.172712
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -10.361
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: 2, replica: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -195.634957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.634957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.634957 (E_RNA)
where:
Base-Base interactions energy: -124.378
where: short stacking energy: -52.786
Base-Backbone interact. energy: -0.032
local terms energy: -71.224732
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -10.031
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: 3, replica: 10
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -172.143306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.143306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.143306 (E_RNA)
where:
Base-Base interactions energy: -106.154
where: short stacking energy: -48.777
Base-Backbone interact. energy: -0.095
local terms energy: -65.893556
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -189.351307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.351307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.351307 (E_RNA)
where:
Base-Base interactions energy: -121.061
where: short stacking energy: -56.809
Base-Backbone interact. energy: 0.335
local terms energy: -68.625404
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -11.911
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: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -94.242504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.242504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.242504 (E_RNA)
where:
Base-Base interactions energy: -30.235
where: short stacking energy: -29.941
Base-Backbone interact. energy: 0.178
local terms energy: -64.185833
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -7.087
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: 6, replica: 4
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -178.745174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.745174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.745174 (E_RNA)
where:
Base-Base interactions energy: -105.437
where: short stacking energy: -52.116
Base-Backbone interact. energy: -0.299
local terms energy: -73.008918
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -91.554901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.554901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.554901 (E_RNA)
where:
Base-Base interactions energy: -45.386
where: short stacking energy: -18.131
Base-Backbone interact. energy: 0.197
local terms energy: -46.365233
where:
bonds (distance) C4'-P energy: -9.637
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -3.459
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -91.705433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.705433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.705433 (E_RNA)
where:
Base-Base interactions energy: -41.963
where: short stacking energy: -33.327
Base-Backbone interact. energy: 0.304
local terms energy: -50.046389
where:
bonds (distance) C4'-P energy: -4.912
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -13.895
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: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -75.871030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.871030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.871030 (E_RNA)
where:
Base-Base interactions energy: -40.190
where: short stacking energy: -27.024
Base-Backbone interact. energy: -0.135
local terms energy: -35.546078
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -8.046
flat angles C4'-P-C4' energy: -8.592
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -76.919448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.919448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.919448 (E_RNA)
where:
Base-Base interactions energy: -30.224
where: short stacking energy: -23.331
Base-Backbone interact. energy: -0.220
local terms energy: -46.475176
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -10.260
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -3.362
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: 3
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -219.961761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.961761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.961761 (E_RNA)
where:
Base-Base interactions energy: -136.513
where: short stacking energy: -66.771
Base-Backbone interact. energy: -0.005
local terms energy: -83.444135
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -199.110659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.110659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.110659 (E_RNA)
where:
Base-Base interactions energy: -126.711
where: short stacking energy: -61.319
Base-Backbone interact. energy: 2.406
local terms energy: -74.805718
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -14.259
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: 10
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -170.724579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.724579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.724579 (E_RNA)
where:
Base-Base interactions energy: -104.775
where: short stacking energy: -48.495
Base-Backbone interact. energy: -0.561
local terms energy: -65.389336
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: -14.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -177.510253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.510253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.510253 (E_RNA)
where:
Base-Base interactions energy: -109.754
where: short stacking energy: -53.599
Base-Backbone interact. energy: -0.270
local terms energy: -67.486847
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -12.360
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: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -108.573184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.573184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.573184 (E_RNA)
where:
Base-Base interactions energy: -54.729
where: short stacking energy: -53.691
Base-Backbone interact. energy: 0.102
local terms energy: -53.946280
where:
bonds (distance) C4'-P energy: -8.292
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -11.432
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: 4
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -166.802461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.802461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.802461 (E_RNA)
where:
Base-Base interactions energy: -102.635
where: short stacking energy: -54.113
Base-Backbone interact. energy: 0.402
local terms energy: -64.569118
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -98.091351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.091351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.091351 (E_RNA)
where:
Base-Base interactions energy: -34.563
where: short stacking energy: -33.868
Base-Backbone interact. energy: -0.382
local terms energy: -63.146063
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -8.235
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: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -78.768037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.768037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.768037 (E_RNA)
where:
Base-Base interactions energy: -27.564
where: short stacking energy: -27.564
Base-Backbone interact. energy: 1.292
local terms energy: -52.495959
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -4.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -78.026746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.026746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.026746 (E_RNA)
where:
Base-Base interactions energy: -35.935
where: short stacking energy: -27.770
Base-Backbone interact. energy: -1.133
local terms energy: -40.958224
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -6.881
flat angles P-C4'-P energy: 0.891
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -77.018617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.018617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.018617 (E_RNA)
where:
Base-Base interactions energy: -37.321
where: short stacking energy: -36.143
Base-Backbone interact. energy: -0.823
local terms energy: -38.874695
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -9.328
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -2.777
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -209.152055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.152055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.152055 (E_RNA)
where:
Base-Base interactions energy: -124.802
where: short stacking energy: -55.602
Base-Backbone interact. energy: -4.021
local terms energy: -80.328708
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -12.043
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: 2, replica: 3
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -201.481766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.481766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.481766 (E_RNA)
where:
Base-Base interactions energy: -126.509
where: short stacking energy: -66.866
Base-Backbone interact. energy: -0.004
local terms energy: -74.968365
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -17.903
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: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -179.545096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.545096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.545096 (E_RNA)
where:
Base-Base interactions energy: -116.015
where: short stacking energy: -56.938
Base-Backbone interact. energy: 0.039
local terms energy: -63.568769
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -10.152
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -14.561
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: 420
Temperature: 1.050000
Total energy: -175.693619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.693619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.693619 (E_RNA)
where:
Base-Base interactions energy: -106.744
where: short stacking energy: -55.605
Base-Backbone interact. energy: -0.002
local terms energy: -68.947263
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -179.008974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.008974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.008974 (E_RNA)
where:
Base-Base interactions energy: -114.299
where: short stacking energy: -54.559
Base-Backbone interact. energy: -0.004
local terms energy: -64.706087
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -12.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -96.417548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.417548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.417548 (E_RNA)
where:
Base-Base interactions energy: -39.191
where: short stacking energy: -39.191
Base-Backbone interact. energy: -0.151
local terms energy: -57.075375
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -7.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -90.060919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.060919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.060919 (E_RNA)
where:
Base-Base interactions energy: -34.194
where: short stacking energy: -27.707
Base-Backbone interact. energy: -0.189
local terms energy: -55.677629
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -2.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -93.019265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.019265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.019265 (E_RNA)
where:
Base-Base interactions energy: -39.029
where: short stacking energy: -31.647
Base-Backbone interact. energy: -0.132
local terms energy: -53.858078
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -14.527
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: 1.081
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: 8
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -78.870377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.870377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.870377 (E_RNA)
where:
Base-Base interactions energy: -28.326
where: short stacking energy: -27.643
Base-Backbone interact. energy: 0.986
local terms energy: -51.530642
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -8.822
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: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -71.829029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.829029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.829029 (E_RNA)
where:
Base-Base interactions energy: -28.177
where: short stacking energy: -23.233
Base-Backbone interact. energy: -0.207
local terms energy: -43.445412
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -1.711
tors. eta vs tors. theta energy: 1.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -210.021078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.021078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.021078 (E_RNA)
where:
Base-Base interactions energy: -132.833
where: short stacking energy: -64.105
Base-Backbone interact. energy: -0.194
local terms energy: -76.994344
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -182.885668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.885668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.885668 (E_RNA)
where:
Base-Base interactions energy: -108.858
where: short stacking energy: -55.333
Base-Backbone interact. energy: -0.034
local terms energy: -73.994006
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -16.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -194.751005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.751005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.751005 (E_RNA)
where:
Base-Base interactions energy: -128.087
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.008
local terms energy: -66.655773
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -13.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -173.429291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.429291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.429291 (E_RNA)
where:
Base-Base interactions energy: -110.563
where: short stacking energy: -55.984
Base-Backbone interact. energy: -0.080
local terms energy: -62.787162
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -10.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -181.291928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.291928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.291928 (E_RNA)
where:
Base-Base interactions energy: -107.147
where: short stacking energy: -40.935
Base-Backbone interact. energy: -0.263
local terms energy: -73.882256
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -113.531907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.531907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.531907 (E_RNA)
where:
Base-Base interactions energy: -61.389
where: short stacking energy: -36.039
Base-Backbone interact. energy: -0.185
local terms energy: -51.957379
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -0.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -88.001325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.001325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.001325 (E_RNA)
where:
Base-Base interactions energy: -37.048
where: short stacking energy: -37.048
Base-Backbone interact. energy: 0.139
local terms energy: -51.092066
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -12.341
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -4.176
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: 8, replica: 7
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -89.315081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.315081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.315081 (E_RNA)
where:
Base-Base interactions energy: -25.008
where: short stacking energy: -24.291
Base-Backbone interact. energy: -0.570
local terms energy: -63.736923
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -10.286
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: 9, replica: 8
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -81.158096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.158096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.158096 (E_RNA)
where:
Base-Base interactions energy: -37.210
where: short stacking energy: -20.845
Base-Backbone interact. energy: -0.123
local terms energy: -43.824957
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -4.481
tors. eta vs tors. theta energy: -0.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -83.538529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.538529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.538529 (E_RNA)
where:
Base-Base interactions energy: -27.600
where: short stacking energy: -23.253
Base-Backbone interact. energy: -0.055
local terms energy: -55.883288
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -5.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -203.780973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.780973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.780973 (E_RNA)
where:
Base-Base interactions energy: -128.284
where: short stacking energy: -65.996
Base-Backbone interact. energy: -0.077
local terms energy: -75.420202
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -22.965
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: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -194.106398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.106398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.106398 (E_RNA)
where:
Base-Base interactions energy: -123.355
where: short stacking energy: -60.109
Base-Backbone interact. energy: 0.350
local terms energy: -71.101743
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -14.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -191.309227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.309227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.309227 (E_RNA)
where:
Base-Base interactions energy: -120.848
where: short stacking energy: -62.362
Base-Backbone interact. energy: -0.041
local terms energy: -70.419897
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -17.285
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: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -177.171987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.171987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.171987 (E_RNA)
where:
Base-Base interactions energy: -108.907
where: short stacking energy: -60.160
Base-Backbone interact. energy: -0.197
local terms energy: -68.067823
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -12.052
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -163.761929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.761929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.761929 (E_RNA)
where:
Base-Base interactions energy: -98.402
where: short stacking energy: -50.283
Base-Backbone interact. energy: -0.713
local terms energy: -64.646015
where:
bonds (distance) C4'-P energy: -8.539
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -14.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -95.332740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.332740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.332740 (E_RNA)
where:
Base-Base interactions energy: -44.527
where: short stacking energy: -38.428
Base-Backbone interact. energy: -0.058
local terms energy: -50.747790
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -0.590
tors. eta vs tors. theta energy: -6.533
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: 422
Temperature: 1.200000
Total energy: -100.167488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.167488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.167488 (E_RNA)
where:
Base-Base interactions energy: -37.376
where: short stacking energy: -36.848
Base-Backbone interact. energy: -0.181
local terms energy: -62.610168
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -8.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -83.676357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.676357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.676357 (E_RNA)
where:
Base-Base interactions energy: -32.968
where: short stacking energy: -29.380
Base-Backbone interact. energy: -0.398
local terms energy: -50.310557
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -5.472
tors. eta vs tors. theta energy: -3.008
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: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -77.732586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.732586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.732586 (E_RNA)
where:
Base-Base interactions energy: -35.550
where: short stacking energy: -15.394
Base-Backbone interact. energy: -0.460
local terms energy: -41.722860
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -9.469
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: 3.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -81.320043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.320043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.320043 (E_RNA)
where:
Base-Base interactions energy: -26.026
where: short stacking energy: -25.080
Base-Backbone interact. energy: 1.522
local terms energy: -56.815180
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -200.884890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.884890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.884890 (E_RNA)
where:
Base-Base interactions energy: -126.901
where: short stacking energy: -63.463
Base-Backbone interact. energy: -0.053
local terms energy: -73.931529
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -193.061657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.061657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.061657 (E_RNA)
where:
Base-Base interactions energy: -121.851
where: short stacking energy: -59.455
Base-Backbone interact. energy: -0.025
local terms energy: -71.185469
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -12.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -193.400540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.400540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.400540 (E_RNA)
where:
Base-Base interactions energy: -117.239
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.521
local terms energy: -75.640176
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -15.210
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -23.953
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: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -183.096447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.096447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.096447 (E_RNA)
where:
Base-Base interactions energy: -115.109
where: short stacking energy: -51.093
Base-Backbone interact. energy: -0.015
local terms energy: -67.972775
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -182.787969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.787969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.787969 (E_RNA)
where:
Base-Base interactions energy: -120.652
where: short stacking energy: -55.310
Base-Backbone interact. energy: -0.066
local terms energy: -62.070336
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -2.845
tors. eta vs tors. theta energy: -15.463
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: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -98.329783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.329783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.329783 (E_RNA)
where:
Base-Base interactions energy: -40.825
where: short stacking energy: -40.825
Base-Backbone interact. energy: -0.033
local terms energy: -57.471157
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -3.980
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: 7, replica: 7
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -86.183592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.183592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.183592 (E_RNA)
where:
Base-Base interactions energy: -31.374
where: short stacking energy: -29.760
Base-Backbone interact. energy: -0.060
local terms energy: -54.749969
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -2.716
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: 8, replica: 1
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -84.428528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.428528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.428528 (E_RNA)
where:
Base-Base interactions energy: -39.285
where: short stacking energy: -27.014
Base-Backbone interact. energy: -0.294
local terms energy: -44.850155
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -10.348
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -83.977882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.977882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.977882 (E_RNA)
where:
Base-Base interactions energy: -27.322
where: short stacking energy: -24.702
Base-Backbone interact. energy: -0.204
local terms energy: -56.451368
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -75.258523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.258523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.258523 (E_RNA)
where:
Base-Base interactions energy: -29.776
where: short stacking energy: -28.119
Base-Backbone interact. energy: -0.315
local terms energy: -45.167775
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -1.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -203.304246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.304246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.304246 (E_RNA)
where:
Base-Base interactions energy: -131.316
where: short stacking energy: -62.896
Base-Backbone interact. energy: -0.012
local terms energy: -71.976321
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -16.148
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: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -188.869792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.869792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.869792 (E_RNA)
where:
Base-Base interactions energy: -115.699
where: short stacking energy: -55.998
Base-Backbone interact. energy: -0.010
local terms energy: -73.161697
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -16.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -174.470669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.470669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.470669 (E_RNA)
where:
Base-Base interactions energy: -107.232
where: short stacking energy: -52.647
Base-Backbone interact. energy: -0.558
local terms energy: -66.681044
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -186.338756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.338756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.338756 (E_RNA)
where:
Base-Base interactions energy: -119.084
where: short stacking energy: -62.013
Base-Backbone interact. energy: -0.008
local terms energy: -67.246945
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -11.891
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: 5, replica: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -172.702693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.702693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.702693 (E_RNA)
where:
Base-Base interactions energy: -102.027
where: short stacking energy: -55.323
Base-Backbone interact. energy: -0.476
local terms energy: -70.200318
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -11.208
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: 6, replica: 6
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -99.125391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.125391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.125391 (E_RNA)
where:
Base-Base interactions energy: -40.749
where: short stacking energy: -32.025
Base-Backbone interact. energy: -0.612
local terms energy: -57.764089
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -3.135
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: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -92.718783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.718783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.718783 (E_RNA)
where:
Base-Base interactions energy: -33.633
where: short stacking energy: -33.403
Base-Backbone interact. energy: 0.691
local terms energy: -59.776179
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -12.061
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -7.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -108.699769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.699769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.699769 (E_RNA)
where:
Base-Base interactions energy: -59.986
where: short stacking energy: -31.468
Base-Backbone interact. energy: -0.100
local terms energy: -48.612993
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -10.014
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: 8
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -86.773910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.773910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.773910 (E_RNA)
where:
Base-Base interactions energy: -33.849
where: short stacking energy: -23.566
Base-Backbone interact. energy: -0.127
local terms energy: -52.798220
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -83.539782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.539782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.539782 (E_RNA)
where:
Base-Base interactions energy: -31.458
where: short stacking energy: -28.941
Base-Backbone interact. energy: -0.072
local terms energy: -52.009495
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -3.173
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: 3
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -208.016716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.016716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.016716 (E_RNA)
where:
Base-Base interactions energy: -126.149
where: short stacking energy: -65.670
Base-Backbone interact. energy: -1.522
local terms energy: -80.345649
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -11.311
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: 5
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -197.154763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.154763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.154763 (E_RNA)
where:
Base-Base interactions energy: -128.231
where: short stacking energy: -65.266
Base-Backbone interact. energy: -0.001
local terms energy: -68.922919
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -6.360
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -160.339580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.339580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.339580 (E_RNA)
where:
Base-Base interactions energy: -97.764
where: short stacking energy: -50.708
Base-Backbone interact. energy: -0.035
local terms energy: -62.540988
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -11.337
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -9.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -194.514181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.514181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.514181 (E_RNA)
where:
Base-Base interactions energy: -124.770
where: short stacking energy: -54.811
Base-Backbone interact. energy: -0.840
local terms energy: -68.904437
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -9.874
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -187.453428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.453428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.453428 (E_RNA)
where:
Base-Base interactions energy: -120.138
where: short stacking energy: -54.019
Base-Backbone interact. energy: -0.017
local terms energy: -67.297769
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -13.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -92.429652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.429652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.429652 (E_RNA)
where:
Base-Base interactions energy: -37.234
where: short stacking energy: -36.633
Base-Backbone interact. energy: -0.011
local terms energy: -55.185054
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -6.114
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: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -88.956856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.956856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.956856 (E_RNA)
where:
Base-Base interactions energy: -37.665
where: short stacking energy: -37.665
Base-Backbone interact. energy: -0.261
local terms energy: -51.030939
where:
bonds (distance) C4'-P energy: -10.394
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -80.622499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.622499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.622499 (E_RNA)
where:
Base-Base interactions energy: -32.718
where: short stacking energy: -25.197
Base-Backbone interact. energy: 1.623
local terms energy: -49.526850
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -1.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -92.917184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.917184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.917184 (E_RNA)
where:
Base-Base interactions energy: -46.557
where: short stacking energy: -26.452
Base-Backbone interact. energy: -0.054
local terms energy: -46.306816
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -7.457
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -4.258
tors. eta vs tors. theta energy: -8.522
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: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -84.766963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.766963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.766963 (E_RNA)
where:
Base-Base interactions energy: -29.785
where: short stacking energy: -29.785
Base-Backbone interact. energy: -0.006
local terms energy: -54.976840
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -8.906
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: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -204.476881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.476881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.476881 (E_RNA)
where:
Base-Base interactions energy: -121.377
where: short stacking energy: -64.558
Base-Backbone interact. energy: -0.351
local terms energy: -82.749382
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -13.270
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: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -201.842213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.842213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.842213 (E_RNA)
where:
Base-Base interactions energy: -130.374
where: short stacking energy: -53.776
Base-Backbone interact. energy: -0.680
local terms energy: -70.788738
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -10.373
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: 3, replica: 10
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -185.352306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.352306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.352306 (E_RNA)
where:
Base-Base interactions energy: -113.031
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.113
local terms energy: -72.208432
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -15.392
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: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -172.849099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.849099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.849099 (E_RNA)
where:
Base-Base interactions energy: -104.823
where: short stacking energy: -53.383
Base-Backbone interact. energy: -0.766
local terms energy: -67.260474
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -17.099
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: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -165.218896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.218896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.218896 (E_RNA)
where:
Base-Base interactions energy: -99.778
where: short stacking energy: -52.542
Base-Backbone interact. energy: -0.005
local terms energy: -65.435373
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -12.762
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -8.700
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: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -93.997520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.997520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.997520 (E_RNA)
where:
Base-Base interactions energy: -35.843
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.006
local terms energy: -58.148045
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -93.891588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.891588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.891588 (E_RNA)
where:
Base-Base interactions energy: -34.887
where: short stacking energy: -31.271
Base-Backbone interact. energy: -0.012
local terms energy: -58.992345
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -10.002
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -11.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -91.402426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.402426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.402426 (E_RNA)
where:
Base-Base interactions energy: -38.392
where: short stacking energy: -28.333
Base-Backbone interact. energy: -0.410
local terms energy: -52.599793
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -3.396
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: 9, replica: 9
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -79.397457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.397457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.397457 (E_RNA)
where:
Base-Base interactions energy: -32.014
where: short stacking energy: -21.992
Base-Backbone interact. energy: -0.089
local terms energy: -47.294425
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -78.905948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.905948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.905948 (E_RNA)
where:
Base-Base interactions energy: -35.096
where: short stacking energy: -33.201
Base-Backbone interact. energy: -0.112
local terms energy: -43.697558
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -7.613
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -198.754147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.754147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.754147 (E_RNA)
where:
Base-Base interactions energy: -121.689
where: short stacking energy: -59.677
Base-Backbone interact. energy: -0.802
local terms energy: -76.262467
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -13.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -200.870349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.870349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.870349 (E_RNA)
where:
Base-Base interactions energy: -121.799
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.108
local terms energy: -78.963463
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -20.711
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: 10
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -179.343582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.343582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.343582 (E_RNA)
where:
Base-Base interactions energy: -106.346
where: short stacking energy: -49.472
Base-Backbone interact. energy: -0.120
local terms energy: -72.877997
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -183.673270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.673270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.673270 (E_RNA)
where:
Base-Base interactions energy: -121.201
where: short stacking energy: -60.217
Base-Backbone interact. energy: -0.025
local terms energy: -62.447100
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -12.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -168.236470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.236470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.236470 (E_RNA)
where:
Base-Base interactions energy: -105.794
where: short stacking energy: -55.679
Base-Backbone interact. energy: -0.058
local terms energy: -62.384737
where:
bonds (distance) C4'-P energy: -8.332
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -90.982785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.982785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.982785 (E_RNA)
where:
Base-Base interactions energy: -35.275
where: short stacking energy: -35.275
Base-Backbone interact. energy: 0.479
local terms energy: -56.186494
where:
bonds (distance) C4'-P energy: -13.054
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -6.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -100.937118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.937118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.937118 (E_RNA)
where:
Base-Base interactions energy: -47.697
where: short stacking energy: -34.755
Base-Backbone interact. energy: -0.003
local terms energy: -53.236774
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -6.020
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: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -85.365182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.365182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.365182 (E_RNA)
where:
Base-Base interactions energy: -43.532
where: short stacking energy: -32.494
Base-Backbone interact. energy: 0.648
local terms energy: -42.481390
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -12.553
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -4.408
tors. eta vs tors. theta energy: 1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -91.958866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.958866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.958866 (E_RNA)
where:
Base-Base interactions energy: -41.808
where: short stacking energy: -15.936
Base-Backbone interact. energy: -0.255
local terms energy: -49.894958
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -6.205
tors. eta vs tors. theta energy: 2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -77.941837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.941837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.941837 (E_RNA)
where:
Base-Base interactions energy: -31.264
where: short stacking energy: -26.090
Base-Backbone interact. energy: 0.395
local terms energy: -47.073285
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -9.026
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -205.900474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.900474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.900474 (E_RNA)
where:
Base-Base interactions energy: -128.457
where: short stacking energy: -60.663
Base-Backbone interact. energy: -0.296
local terms energy: -77.147872
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -18.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -194.390900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.390900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.390900 (E_RNA)
where:
Base-Base interactions energy: -121.683
where: short stacking energy: -53.043
Base-Backbone interact. energy: -0.188
local terms energy: -72.520151
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -16.018
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: 10
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -190.733908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.733908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.733908 (E_RNA)
where:
Base-Base interactions energy: -115.551
where: short stacking energy: -61.468
Base-Backbone interact. energy: -0.015
local terms energy: -75.167757
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -12.044
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: 4, replica: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -180.664681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.664681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.664681 (E_RNA)
where:
Base-Base interactions energy: -120.459
where: short stacking energy: -64.120
Base-Backbone interact. energy: -0.443
local terms energy: -59.762049
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -13.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -100.696047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.696047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.696047 (E_RNA)
where:
Base-Base interactions energy: -46.660
where: short stacking energy: -45.211
Base-Backbone interact. energy: -0.061
local terms energy: -53.975275
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -6.663
tors. eta vs tors. theta energy: -9.594
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: 428
Temperature: 1.150000
Total energy: -170.866554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.866554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.866554 (E_RNA)
where:
Base-Base interactions energy: -109.475
where: short stacking energy: -50.120
Base-Backbone interact. energy: -0.711
local terms energy: -60.680023
where:
bonds (distance) C4'-P energy: -12.438
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -90.426995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.426995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.426995 (E_RNA)
where:
Base-Base interactions energy: -37.687
where: short stacking energy: -37.687
Base-Backbone interact. energy: -0.046
local terms energy: -52.693874
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -1.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -86.421619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.421619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.421619 (E_RNA)
where:
Base-Base interactions energy: -34.684
where: short stacking energy: -28.233
Base-Backbone interact. energy: -0.223
local terms energy: -51.514862
where:
bonds (distance) C4'-P energy: -10.756
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -11.201
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -7.193
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: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -85.613967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.613967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.613967 (E_RNA)
where:
Base-Base interactions energy: -36.734
where: short stacking energy: -28.124
Base-Backbone interact. energy: -0.011
local terms energy: -48.869439
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -4.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -79.426878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.426878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.426878 (E_RNA)
where:
Base-Base interactions energy: -40.507
where: short stacking energy: -25.310
Base-Backbone interact. energy: -0.051
local terms energy: -38.869005
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -5.544
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -8.460
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: 5
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -201.933614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.933614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.933614 (E_RNA)
where:
Base-Base interactions energy: -126.141
where: short stacking energy: -68.938
Base-Backbone interact. energy: -0.018
local terms energy: -75.775378
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -20.776
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: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -211.500729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.500729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.500729 (E_RNA)
where:
Base-Base interactions energy: -137.402
where: short stacking energy: -66.656
Base-Backbone interact. energy: -1.066
local terms energy: -73.032629
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -11.176
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: 3, replica: 10
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -185.053676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.053676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.053676 (E_RNA)
where:
Base-Base interactions energy: -119.946
where: short stacking energy: -49.971
Base-Backbone interact. energy: -0.693
local terms energy: -64.413973
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -12.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -193.884645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.884645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.884645 (E_RNA)
where:
Base-Base interactions energy: -119.689
where: short stacking energy: -60.759
Base-Backbone interact. energy: -0.001
local terms energy: -74.193922
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -109.074182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.074182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.074182 (E_RNA)
where:
Base-Base interactions energy: -51.187
where: short stacking energy: -51.187
Base-Backbone interact. energy: -0.121
local terms energy: -57.765713
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -7.920
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -11.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -161.371912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.371912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.371912 (E_RNA)
where:
Base-Base interactions energy: -102.845
where: short stacking energy: -49.552
Base-Backbone interact. energy: -0.688
local terms energy: -57.838922
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -10.368
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -12.100
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: 1
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -90.527847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.527847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.527847 (E_RNA)
where:
Base-Base interactions energy: -37.937
where: short stacking energy: -35.348
Base-Backbone interact. energy: 0.788
local terms energy: -53.378403
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -81.373289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.373289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.373289 (E_RNA)
where:
Base-Base interactions energy: -25.234
where: short stacking energy: -24.208
Base-Backbone interact. energy: -0.173
local terms energy: -55.965706
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -8.472
flat angles P-C4'-P energy: -11.761
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -73.580795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.580795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.580795 (E_RNA)
where:
Base-Base interactions energy: -21.574
where: short stacking energy: -21.574
Base-Backbone interact. energy: 0.374
local terms energy: -52.380517
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -3.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -80.297496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.297496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.297496 (E_RNA)
where:
Base-Base interactions energy: -29.072
where: short stacking energy: -28.844
Base-Backbone interact. energy: -0.124
local terms energy: -51.101837
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -10.690
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: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -203.732864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.732864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.732864 (E_RNA)
where:
Base-Base interactions energy: -134.138
where: short stacking energy: -60.413
Base-Backbone interact. energy: 0.150
local terms energy: -69.745459
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -9.453
tors. eta vs tors. theta energy: -17.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -216.677737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.677737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.677737 (E_RNA)
where:
Base-Base interactions energy: -150.383
where: short stacking energy: -61.800
Base-Backbone interact. energy: -0.402
local terms energy: -65.892929
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -10.313
flat angles P-C4'-P energy: -12.424
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: 3, replica: 10
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -178.459879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.459879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.459879 (E_RNA)
where:
Base-Base interactions energy: -116.428
where: short stacking energy: -54.080
Base-Backbone interact. energy: -0.001
local terms energy: -62.030852
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -13.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -190.790014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.790014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.790014 (E_RNA)
where:
Base-Base interactions energy: -116.975
where: short stacking energy: -60.375
Base-Backbone interact. energy: -0.012
local terms energy: -73.803376
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -16.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -167.472740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.472740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.472740 (E_RNA)
where:
Base-Base interactions energy: -103.761
where: short stacking energy: -44.073
Base-Backbone interact. energy: -0.329
local terms energy: -63.382763
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -98.909035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.909035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.909035 (E_RNA)
where:
Base-Base interactions energy: -47.504
where: short stacking energy: -44.086
Base-Backbone interact. energy: -0.422
local terms energy: -50.983371
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -7.400
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -7.199
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: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -95.104778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.104778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.104778 (E_RNA)
where:
Base-Base interactions energy: -43.539
where: short stacking energy: -41.733
Base-Backbone interact. energy: -0.044
local terms energy: -51.522292
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -3.971
tors. eta vs tors. theta energy: -7.450
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: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -88.110695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.110695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.110695 (E_RNA)
where:
Base-Base interactions energy: -36.231
where: short stacking energy: -30.377
Base-Backbone interact. energy: -0.128
local terms energy: -51.752274
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -3.941
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -87.358088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.358088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.358088 (E_RNA)
where:
Base-Base interactions energy: -30.474
where: short stacking energy: -30.474
Base-Backbone interact. energy: -0.004
local terms energy: -56.880241
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -76.311132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.311132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.311132 (E_RNA)
where:
Base-Base interactions energy: -30.381
where: short stacking energy: -30.381
Base-Backbone interact. energy: -0.190
local terms energy: -45.739915
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -6.518
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -5.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -207.558220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.558220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.558220 (E_RNA)
where:
Base-Base interactions energy: -128.094
where: short stacking energy: -63.356
Base-Backbone interact. energy: -0.002
local terms energy: -79.462235
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -19.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -184.731547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.731547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.731547 (E_RNA)
where:
Base-Base interactions energy: -118.900
where: short stacking energy: -60.434
Base-Backbone interact. energy: -0.149
local terms energy: -65.683446
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -15.558
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: 5
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -194.381407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.381407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.381407 (E_RNA)
where:
Base-Base interactions energy: -131.899
where: short stacking energy: -46.966
Base-Backbone interact. energy: -0.300
local terms energy: -62.182995
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -12.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -190.532374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.532374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.532374 (E_RNA)
where:
Base-Base interactions energy: -118.417
where: short stacking energy: -57.329
Base-Backbone interact. energy: -0.018
local terms energy: -72.097448
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -21.063
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: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -167.416614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.416614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.416614 (E_RNA)
where:
Base-Base interactions energy: -100.274
where: short stacking energy: -44.602
Base-Backbone interact. energy: -0.108
local terms energy: -67.034588
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -94.194498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.194498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.194498 (E_RNA)
where:
Base-Base interactions energy: -31.970
where: short stacking energy: -31.941
Base-Backbone interact. energy: -0.030
local terms energy: -62.194530
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -9.061
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: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -93.797454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.797454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.797454 (E_RNA)
where:
Base-Base interactions energy: -40.421
where: short stacking energy: -25.719
Base-Backbone interact. energy: -0.116
local terms energy: -53.259911
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -2.050
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: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -90.032489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.032489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.032489 (E_RNA)
where:
Base-Base interactions energy: -42.515
where: short stacking energy: -24.197
Base-Backbone interact. energy: -0.422
local terms energy: -47.095970
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -11.091
flat angles P-C4'-P energy: -6.414
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: 9, replica: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -76.070081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.070081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.070081 (E_RNA)
where:
Base-Base interactions energy: -25.930
where: short stacking energy: -22.809
Base-Backbone interact. energy: 0.230
local terms energy: -50.370293
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -74.507995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.507995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.507995 (E_RNA)
where:
Base-Base interactions energy: -26.354
where: short stacking energy: -26.354
Base-Backbone interact. energy: -0.367
local terms energy: -47.786863
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -8.136
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: 10
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -188.031947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.031947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.031947 (E_RNA)
where:
Base-Base interactions energy: -114.833
where: short stacking energy: -60.457
Base-Backbone interact. energy: -0.038
local terms energy: -73.160258
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -16.692
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: 432
Temperature: 0.950000
Total energy: -207.009053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.009053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.009053 (E_RNA)
where:
Base-Base interactions energy: -131.228
where: short stacking energy: -58.231
Base-Backbone interact. energy: -0.175
local terms energy: -75.606340
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -194.628244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.628244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.628244 (E_RNA)
where:
Base-Base interactions energy: -122.451
where: short stacking energy: -56.742
Base-Backbone interact. energy: -0.003
local terms energy: -72.174303
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -15.585
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -17.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -199.260873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.260873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.260873 (E_RNA)
where:
Base-Base interactions energy: -124.750
where: short stacking energy: -60.323
Base-Backbone interact. energy: -0.553
local terms energy: -73.958197
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -21.270
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: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -177.703157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.703157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.703157 (E_RNA)
where:
Base-Base interactions energy: -120.482
where: short stacking energy: -48.075
Base-Backbone interact. energy: 0.410
local terms energy: -57.631451
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -10.923
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -90.288943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.288943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.288943 (E_RNA)
where:
Base-Base interactions energy: -37.237
where: short stacking energy: -28.905
Base-Backbone interact. energy: -0.076
local terms energy: -52.975549
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -92.772922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.772922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.772922 (E_RNA)
where:
Base-Base interactions energy: -38.063
where: short stacking energy: -31.899
Base-Backbone interact. energy: -0.969
local terms energy: -53.740887
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -9.627
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -5.278
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: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -86.954392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.954392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.954392 (E_RNA)
where:
Base-Base interactions energy: -33.637
where: short stacking energy: -27.837
Base-Backbone interact. energy: -0.283
local terms energy: -53.034780
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -6.239
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: 432
Temperature: 1.300000
Total energy: -71.904687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.904687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.904687 (E_RNA)
where:
Base-Base interactions energy: -33.924
where: short stacking energy: -23.825
Base-Backbone interact. energy: -0.026
local terms energy: -37.954990
where:
bonds (distance) C4'-P energy: -7.901
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -3.853
tors. eta vs tors. theta energy: 1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -75.090289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.090289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.090289 (E_RNA)
where:
Base-Base interactions energy: -26.229
where: short stacking energy: -16.859
Base-Backbone interact. energy: -0.394
local terms energy: -48.467760
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -6.905
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: 10
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -198.456136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.456136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.456136 (E_RNA)
where:
Base-Base interactions energy: -124.512
where: short stacking energy: -65.551
Base-Backbone interact. energy: -0.004
local terms energy: -73.939948
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -12.314
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: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -206.260575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.260575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.260575 (E_RNA)
where:
Base-Base interactions energy: -137.606
where: short stacking energy: -64.053
Base-Backbone interact. energy: -0.030
local terms energy: -68.623978
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -10.128
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: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -184.652631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.652631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.652631 (E_RNA)
where:
Base-Base interactions energy: -114.703
where: short stacking energy: -54.498
Base-Backbone interact. energy: -0.679
local terms energy: -69.270804
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -189.146582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.146582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.146582 (E_RNA)
where:
Base-Base interactions energy: -117.715
where: short stacking energy: -53.253
Base-Backbone interact. energy: 0.217
local terms energy: -71.648354
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -180.352436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.352436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.352436 (E_RNA)
where:
Base-Base interactions energy: -115.350
where: short stacking energy: -55.821
Base-Backbone interact. energy: -0.029
local terms energy: -64.973147
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -104.155700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.155700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.155700 (E_RNA)
where:
Base-Base interactions energy: -41.155
where: short stacking energy: -41.155
Base-Backbone interact. energy: -0.000
local terms energy: -63.000395
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -90.230834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.230834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.230834 (E_RNA)
where:
Base-Base interactions energy: -33.162
where: short stacking energy: -32.862
Base-Backbone interact. energy: -0.107
local terms energy: -56.962306
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -4.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -92.236221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.236221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.236221 (E_RNA)
where:
Base-Base interactions energy: -45.185
where: short stacking energy: -25.961
Base-Backbone interact. energy: 0.570
local terms energy: -47.621070
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -7.293
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: 433
Temperature: 1.300000
Total energy: -76.803063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.803063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.803063 (E_RNA)
where:
Base-Base interactions energy: -27.648
where: short stacking energy: -27.129
Base-Backbone interact. energy: -0.326
local terms energy: -48.829247
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.850
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -84.765835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.765835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.765835 (E_RNA)
where:
Base-Base interactions energy: -37.880
where: short stacking energy: -27.083
Base-Backbone interact. energy: -0.074
local terms energy: -46.812553
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -3.361
tors. eta vs tors. theta energy: -0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -192.474052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.474052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.474052 (E_RNA)
where:
Base-Base interactions energy: -118.589
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.069
local terms energy: -73.816089
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -8.852
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: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -202.734595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.734595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.734595 (E_RNA)
where:
Base-Base interactions energy: -126.305
where: short stacking energy: -58.431
Base-Backbone interact. energy: -0.010
local terms energy: -76.419500
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -18.853
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: 5
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -206.008940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.008940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.008940 (E_RNA)
where:
Base-Base interactions energy: -126.483
where: short stacking energy: -70.519
Base-Backbone interact. energy: -0.040
local terms energy: -79.486486
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -22.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -183.462562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.462562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.462562 (E_RNA)
where:
Base-Base interactions energy: -118.174
where: short stacking energy: -57.698
Base-Backbone interact. energy: 0.189
local terms energy: -65.477545
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -171.126083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.126083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.126083 (E_RNA)
where:
Base-Base interactions energy: -102.689
where: short stacking energy: -47.420
Base-Backbone interact. energy: 0.077
local terms energy: -68.514391
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -98.222250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.222250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.222250 (E_RNA)
where:
Base-Base interactions energy: -40.915
where: short stacking energy: -32.615
Base-Backbone interact. energy: -0.110
local terms energy: -57.197946
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -6.332
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -111.123358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.123358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.123358 (E_RNA)
where:
Base-Base interactions energy: -61.620
where: short stacking energy: -31.058
Base-Backbone interact. energy: 0.740
local terms energy: -50.243574
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -87.501656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.501656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.501656 (E_RNA)
where:
Base-Base interactions energy: -30.088
where: short stacking energy: -27.976
Base-Backbone interact. energy: -0.116
local terms energy: -57.297287
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.237
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -74.427651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.427651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.427651 (E_RNA)
where:
Base-Base interactions energy: -27.457
where: short stacking energy: -24.230
Base-Backbone interact. energy: -0.171
local terms energy: -46.800518
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -16.328
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -0.428
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: 434
Temperature: 1.350000
Total energy: -74.335108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.335108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.335108 (E_RNA)
where:
Base-Base interactions energy: -28.638
where: short stacking energy: -25.200
Base-Backbone interact. energy: 0.472
local terms energy: -46.168810
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -6.239
tors. eta vs tors. theta energy: 0.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -184.136661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.136661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.136661 (E_RNA)
where:
Base-Base interactions energy: -111.931
where: short stacking energy: -53.797
Base-Backbone interact. energy: -0.139
local terms energy: -72.066713
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -192.642986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.642986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.642986 (E_RNA)
where:
Base-Base interactions energy: -120.472
where: short stacking energy: -62.639
Base-Backbone interact. energy: -0.008
local terms energy: -72.163038
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -12.949
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -11.671
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: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -179.789390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.789390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.789390 (E_RNA)
where:
Base-Base interactions energy: -111.808
where: short stacking energy: -60.407
Base-Backbone interact. energy: 0.589
local terms energy: -68.570719
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -186.882084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.882084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.882084 (E_RNA)
where:
Base-Base interactions energy: -120.999
where: short stacking energy: -50.603
Base-Backbone interact. energy: -0.683
local terms energy: -65.199871
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -12.328
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: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -174.720980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.720980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.720980 (E_RNA)
where:
Base-Base interactions energy: -110.804
where: short stacking energy: -60.998
Base-Backbone interact. energy: -0.084
local terms energy: -63.832325
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -17.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -98.138202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.138202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.138202 (E_RNA)
where:
Base-Base interactions energy: -45.403
where: short stacking energy: -38.656
Base-Backbone interact. energy: -0.623
local terms energy: -52.112225
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -2.120
tors. eta vs tors. theta energy: -10.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -92.978429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.978429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.978429 (E_RNA)
where:
Base-Base interactions energy: -35.193
where: short stacking energy: -34.578
Base-Backbone interact. energy: -0.071
local terms energy: -57.714457
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -8.571
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -91.065091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.065091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.065091 (E_RNA)
where:
Base-Base interactions energy: -36.208
where: short stacking energy: -35.676
Base-Backbone interact. energy: -0.038
local terms energy: -54.819582
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -6.782
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: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -77.315144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.315144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.315144 (E_RNA)
where:
Base-Base interactions energy: -36.743
where: short stacking energy: -29.868
Base-Backbone interact. energy: -0.093
local terms energy: -40.479153
where:
bonds (distance) C4'-P energy: -11.087
bonds (distance) P-C4' energy: -8.974
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: 1.988
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: 6
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -74.443082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.443082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.443082 (E_RNA)
where:
Base-Base interactions energy: -34.379
where: short stacking energy: -31.760
Base-Backbone interact. energy: -0.052
local terms energy: -40.011965
where:
bonds (distance) C4'-P energy: -7.850
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: 0.294
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: 5
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -202.840809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.840809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.840809 (E_RNA)
where:
Base-Base interactions energy: -125.936
where: short stacking energy: -70.424
Base-Backbone interact. energy: -0.007
local terms energy: -76.898204
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -181.523696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.523696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.523696 (E_RNA)
where:
Base-Base interactions energy: -118.240
where: short stacking energy: -57.025
Base-Backbone interact. energy: -0.019
local terms energy: -63.264844
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -195.082342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.082342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.082342 (E_RNA)
where:
Base-Base interactions energy: -126.267
where: short stacking energy: -61.816
Base-Backbone interact. energy: -0.538
local terms energy: -68.276498
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -10.677
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: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -169.834438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.834438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.834438 (E_RNA)
where:
Base-Base interactions energy: -110.879
where: short stacking energy: -51.179
Base-Backbone interact. energy: -0.034
local terms energy: -58.920760
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -8.898
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -10.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -171.003289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.003289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.003289 (E_RNA)
where:
Base-Base interactions energy: -105.324
where: short stacking energy: -52.669
Base-Backbone interact. energy: -0.504
local terms energy: -65.174562
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -5.185
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: 1
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -98.778066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.778066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.778066 (E_RNA)
where:
Base-Base interactions energy: -40.306
where: short stacking energy: -39.079
Base-Backbone interact. energy: -0.228
local terms energy: -58.244056
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -6.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -92.790657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.790657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.790657 (E_RNA)
where:
Base-Base interactions energy: -36.110
where: short stacking energy: -34.672
Base-Backbone interact. energy: -0.010
local terms energy: -56.670680
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.747
flat angles P-C4'-P energy: -7.926
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: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -85.097926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.097926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.097926 (E_RNA)
where:
Base-Base interactions energy: -29.244
where: short stacking energy: -29.244
Base-Backbone interact. energy: -0.218
local terms energy: -55.635696
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -82.160343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.160343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.160343 (E_RNA)
where:
Base-Base interactions energy: -29.606
where: short stacking energy: -25.082
Base-Backbone interact. energy: 0.052
local terms energy: -52.606886
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -8.775
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -72.577803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.577803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.577803 (E_RNA)
where:
Base-Base interactions energy: -30.699
where: short stacking energy: -22.594
Base-Backbone interact. energy: -0.073
local terms energy: -41.805896
where:
bonds (distance) C4'-P energy: -11.072
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -8.275
flat angles P-C4'-P energy: -9.820
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: 1, replica: 5
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -203.307197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.307197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.307197 (E_RNA)
where:
Base-Base interactions energy: -128.568
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.111
local terms energy: -74.628538
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -21.155
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: 10
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -198.155334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.155334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.155334 (E_RNA)
where:
Base-Base interactions energy: -128.413
where: short stacking energy: -52.056
Base-Backbone interact. energy: -0.006
local terms energy: -69.736734
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -185.074814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.074814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.074814 (E_RNA)
where:
Base-Base interactions energy: -112.283
where: short stacking energy: -53.110
Base-Backbone interact. energy: 0.208
local terms energy: -72.999082
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -176.973163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.973163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.973163 (E_RNA)
where:
Base-Base interactions energy: -103.946
where: short stacking energy: -54.301
Base-Backbone interact. energy: -0.008
local terms energy: -73.018598
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -19.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -167.721155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.721155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.721155 (E_RNA)
where:
Base-Base interactions energy: -102.752
where: short stacking energy: -54.264
Base-Backbone interact. energy: -0.004
local terms energy: -64.965155
where:
bonds (distance) C4'-P energy: -14.085
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -10.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -104.575851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.575851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.575851 (E_RNA)
where:
Base-Base interactions energy: -54.480
where: short stacking energy: -40.280
Base-Backbone interact. energy: -0.075
local terms energy: -50.020931
where:
bonds (distance) C4'-P energy: -9.774
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -13.905
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -5.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -94.182046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.182046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.182046 (E_RNA)
where:
Base-Base interactions energy: -38.857
where: short stacking energy: -36.349
Base-Backbone interact. energy: -0.064
local terms energy: -55.260446
where:
bonds (distance) C4'-P energy: -4.825
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -93.130192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.130192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.130192 (E_RNA)
where:
Base-Base interactions energy: -38.416
where: short stacking energy: -38.415
Base-Backbone interact. energy: -0.025
local terms energy: -54.689324
where:
bonds (distance) C4'-P energy: -8.610
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -8.664
tors. eta vs tors. theta energy: -7.497
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: 437
Temperature: 1.300000
Total energy: -73.739975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.739975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.739975 (E_RNA)
where:
Base-Base interactions energy: -24.660
where: short stacking energy: -24.660
Base-Backbone interact. energy: -0.097
local terms energy: -48.983259
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -9.822
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -4.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -78.675800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.675800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.675800 (E_RNA)
where:
Base-Base interactions energy: -31.874
where: short stacking energy: -31.874
Base-Backbone interact. energy: -0.165
local terms energy: -46.636754
where:
bonds (distance) C4'-P energy: -7.768
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -4.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -208.854268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.854268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.854268 (E_RNA)
where:
Base-Base interactions energy: -133.670
where: short stacking energy: -63.180
Base-Backbone interact. energy: -0.090
local terms energy: -75.094469
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -201.075752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.075752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.075752 (E_RNA)
where:
Base-Base interactions energy: -125.048
where: short stacking energy: -58.651
Base-Backbone interact. energy: -0.695
local terms energy: -75.332594
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -22.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -199.618934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.618934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.618934 (E_RNA)
where:
Base-Base interactions energy: -123.974
where: short stacking energy: -61.857
Base-Backbone interact. energy: -0.594
local terms energy: -75.050500
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -19.496
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: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -187.261879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.261879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.261879 (E_RNA)
where:
Base-Base interactions energy: -113.619
where: short stacking energy: -53.926
Base-Backbone interact. energy: -0.103
local terms energy: -73.539297
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -17.531
flat angles P-C4'-P energy: -9.165
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: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -182.549566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.549566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.549566 (E_RNA)
where:
Base-Base interactions energy: -117.541
where: short stacking energy: -63.416
Base-Backbone interact. energy: -0.354
local terms energy: -64.654255
where:
bonds (distance) C4'-P energy: -8.983
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -126.511352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.511352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.511352 (E_RNA)
where:
Base-Base interactions energy: -69.260
where: short stacking energy: -43.432
Base-Backbone interact. energy: -0.016
local terms energy: -57.235808
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -8.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -91.168250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.168250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.168250 (E_RNA)
where:
Base-Base interactions energy: -35.172
where: short stacking energy: -35.172
Base-Backbone interact. energy: -0.173
local terms energy: -55.823647
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -4.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -96.126361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.126361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.126361 (E_RNA)
where:
Base-Base interactions energy: -34.764
where: short stacking energy: -34.514
Base-Backbone interact. energy: -0.080
local terms energy: -61.282605
where:
bonds (distance) C4'-P energy: -18.511
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -9.028
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: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -84.775978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.775978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.775978 (E_RNA)
where:
Base-Base interactions energy: -32.103
where: short stacking energy: -29.003
Base-Backbone interact. energy: -0.173
local terms energy: -52.499904
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: 0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -77.842286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.842286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.842286 (E_RNA)
where:
Base-Base interactions energy: -26.456
where: short stacking energy: -20.788
Base-Backbone interact. energy: -0.855
local terms energy: -50.530701
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -10.209
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -203.080367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.080367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.080367 (E_RNA)
where:
Base-Base interactions energy: -127.569
where: short stacking energy: -59.492
Base-Backbone interact. energy: -0.115
local terms energy: -75.396399
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -11.252
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: 2, replica: 10
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -204.988182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.988182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.988182 (E_RNA)
where:
Base-Base interactions energy: -136.481
where: short stacking energy: -65.900
Base-Backbone interact. energy: 0.092
local terms energy: -68.599510
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -4.801
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -180.762548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.762548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.762548 (E_RNA)
where:
Base-Base interactions energy: -113.140
where: short stacking energy: -60.771
Base-Backbone interact. energy: -0.014
local terms energy: -67.607723
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -13.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -193.653137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.653137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.653137 (E_RNA)
where:
Base-Base interactions energy: -121.257
where: short stacking energy: -55.985
Base-Backbone interact. energy: -0.489
local terms energy: -71.907199
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -17.139
flat angles P-C4'-P energy: -6.003
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: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -177.258434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.258434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.258434 (E_RNA)
where:
Base-Base interactions energy: -107.181
where: short stacking energy: -50.038
Base-Backbone interact. energy: -0.011
local terms energy: -70.065916
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -13.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -98.714792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.714792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.714792 (E_RNA)
where:
Base-Base interactions energy: -35.250
where: short stacking energy: -35.250
Base-Backbone interact. energy: -0.082
local terms energy: -63.383666
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -10.109
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: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -80.490141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.490141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.490141 (E_RNA)
where:
Base-Base interactions energy: -32.830
where: short stacking energy: -32.830
Base-Backbone interact. energy: 3.640
local terms energy: -51.300627
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -1.099
tors. eta vs tors. theta energy: -6.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -82.767502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.767502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.767502 (E_RNA)
where:
Base-Base interactions energy: -29.044
where: short stacking energy: -29.044
Base-Backbone interact. energy: -0.009
local terms energy: -53.714256
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -2.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -83.144035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.144035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.144035 (E_RNA)
where:
Base-Base interactions energy: -36.745
where: short stacking energy: -28.297
Base-Backbone interact. energy: -0.814
local terms energy: -45.585380
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -9.773
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -85.518934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.518934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.518934 (E_RNA)
where:
Base-Base interactions energy: -32.008
where: short stacking energy: -25.522
Base-Backbone interact. energy: -0.635
local terms energy: -52.876858
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -2.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -208.380588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.380588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.380588 (E_RNA)
where:
Base-Base interactions energy: -133.827
where: short stacking energy: -60.628
Base-Backbone interact. energy: -0.005
local terms energy: -74.548475
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -19.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -197.697215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.697215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.697215 (E_RNA)
where:
Base-Base interactions energy: -122.404
where: short stacking energy: -60.983
Base-Backbone interact. energy: -0.432
local terms energy: -74.861138
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -9.329
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: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -181.121468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.121468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.121468 (E_RNA)
where:
Base-Base interactions energy: -114.263
where: short stacking energy: -55.309
Base-Backbone interact. energy: -0.689
local terms energy: -66.169826
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -10.699
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: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -163.998831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.998831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.998831 (E_RNA)
where:
Base-Base interactions energy: -103.615
where: short stacking energy: -43.343
Base-Backbone interact. energy: -0.339
local terms energy: -60.044647
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -8.760
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: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -181.368485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.368485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.368485 (E_RNA)
where:
Base-Base interactions energy: -112.272
where: short stacking energy: -51.921
Base-Backbone interact. energy: -1.155
local terms energy: -67.940939
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -16.516
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: 8
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -92.957811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.957811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.957811 (E_RNA)
where:
Base-Base interactions energy: -45.493
where: short stacking energy: -35.955
Base-Backbone interact. energy: -0.199
local terms energy: -47.265252
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -7.965
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: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -90.672016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.672016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.672016 (E_RNA)
where:
Base-Base interactions energy: -40.174
where: short stacking energy: -27.965
Base-Backbone interact. energy: -0.055
local terms energy: -50.443057
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -10.887
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -84.463575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.463575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.463575 (E_RNA)
where:
Base-Base interactions energy: -34.419
where: short stacking energy: -26.474
Base-Backbone interact. energy: -0.510
local terms energy: -49.534804
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -4.670
tors. eta vs tors. theta energy: -4.724
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: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -97.056805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.056805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.056805 (E_RNA)
where:
Base-Base interactions energy: -40.933
where: short stacking energy: -38.087
Base-Backbone interact. energy: -0.173
local terms energy: -55.950804
where:
bonds (distance) C4'-P energy: -6.749
bonds (distance) P-C4' energy: -12.020
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -8.855
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: 10, replica: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -68.888940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.888940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.888940 (E_RNA)
where:
Base-Base interactions energy: -26.459
where: short stacking energy: -22.167
Base-Backbone interact. energy: -0.179
local terms energy: -42.250896
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -9.671
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: 3.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -218.099083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.099083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.099083 (E_RNA)
where:
Base-Base interactions energy: -148.352
where: short stacking energy: -65.251
Base-Backbone interact. energy: -0.101
local terms energy: -69.645493
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -194.627536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.627536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.627536 (E_RNA)
where:
Base-Base interactions energy: -121.150
where: short stacking energy: -63.417
Base-Backbone interact. energy: -0.004
local terms energy: -73.473452
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -21.501
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: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -187.998647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.998647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.998647 (E_RNA)
where:
Base-Base interactions energy: -117.814
where: short stacking energy: -52.883
Base-Backbone interact. energy: -0.830
local terms energy: -69.354439
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -10.811
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -17.559
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: 3
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -174.707507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.707507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.707507 (E_RNA)
where:
Base-Base interactions energy: -111.022
where: short stacking energy: -51.388
Base-Backbone interact. energy: -0.110
local terms energy: -63.575771
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -9.318
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: 2
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -162.114307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.114307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.114307 (E_RNA)
where:
Base-Base interactions energy: -95.752
where: short stacking energy: -47.067
Base-Backbone interact. energy: -0.099
local terms energy: -66.263507
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -8.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -94.718077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.718077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.718077 (E_RNA)
where:
Base-Base interactions energy: -43.923
where: short stacking energy: -42.369
Base-Backbone interact. energy: -0.007
local terms energy: -50.788098
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -6.556
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: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -98.102383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.102383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.102383 (E_RNA)
where:
Base-Base interactions energy: -49.052
where: short stacking energy: -34.541
Base-Backbone interact. energy: -0.395
local terms energy: -48.654925
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -11.150
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: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -81.374953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.374953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.374953 (E_RNA)
where:
Base-Base interactions energy: -30.673
where: short stacking energy: -9.134
Base-Backbone interact. energy: -0.003
local terms energy: -50.699280
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -10.604
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: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -75.289768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.289768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.289768 (E_RNA)
where:
Base-Base interactions energy: -27.780
where: short stacking energy: -24.714
Base-Backbone interact. energy: -0.192
local terms energy: -47.318308
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -9.158
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -77.253377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.253377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.253377 (E_RNA)
where:
Base-Base interactions energy: -27.673
where: short stacking energy: -25.159
Base-Backbone interact. energy: -0.139
local terms energy: -49.441255
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -204.935379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.935379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.935379 (E_RNA)
where:
Base-Base interactions energy: -130.551
where: short stacking energy: -62.016
Base-Backbone interact. energy: -0.028
local terms energy: -74.357089
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -18.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -192.000797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.000797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.000797 (E_RNA)
where:
Base-Base interactions energy: -124.952
where: short stacking energy: -61.948
Base-Backbone interact. energy: -0.044
local terms energy: -67.005092
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -178.465298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.465298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.465298 (E_RNA)
where:
Base-Base interactions energy: -114.724
where: short stacking energy: -49.859
Base-Backbone interact. energy: -0.342
local terms energy: -63.400015
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -15.111
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -12.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -194.096101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.096101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.096101 (E_RNA)
where:
Base-Base interactions energy: -118.913
where: short stacking energy: -63.666
Base-Backbone interact. energy: -0.247
local terms energy: -74.936362
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -9.443
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: 5, replica: 2
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -168.691060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.691060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.691060 (E_RNA)
where:
Base-Base interactions energy: -111.929
where: short stacking energy: -46.228
Base-Backbone interact. energy: -1.004
local terms energy: -55.757761
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -95.816098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.816098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.816098 (E_RNA)
where:
Base-Base interactions energy: -38.558
where: short stacking energy: -38.168
Base-Backbone interact. energy: -0.078
local terms energy: -57.180412
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -102.186436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.186436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.186436 (E_RNA)
where:
Base-Base interactions energy: -43.042
where: short stacking energy: -31.823
Base-Backbone interact. energy: -0.007
local terms energy: -59.136925
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -6.022
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: 7
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -86.464652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.464652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.464652 (E_RNA)
where:
Base-Base interactions energy: -38.252
where: short stacking energy: -25.475
Base-Backbone interact. energy: -0.387
local terms energy: -47.825560
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -75.257694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.257694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.257694 (E_RNA)
where:
Base-Base interactions energy: -27.942
where: short stacking energy: -26.077
Base-Backbone interact. energy: -0.274
local terms energy: -47.042027
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -0.796
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: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -75.380157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.380157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.380157 (E_RNA)
where:
Base-Base interactions energy: -27.396
where: short stacking energy: -25.616
Base-Backbone interact. energy: 1.332
local terms energy: -49.316549
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -4.539
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: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -193.288216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.288216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.288216 (E_RNA)
where:
Base-Base interactions energy: -121.924
where: short stacking energy: -62.729
Base-Backbone interact. energy: -0.275
local terms energy: -71.089727
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -189.443181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.443181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.443181 (E_RNA)
where:
Base-Base interactions energy: -121.527
where: short stacking energy: -60.836
Base-Backbone interact. energy: -0.386
local terms energy: -67.529915
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -181.594491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.594491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.594491 (E_RNA)
where:
Base-Base interactions energy: -109.527
where: short stacking energy: -54.471
Base-Backbone interact. energy: -3.004
local terms energy: -69.063716
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -13.728
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: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -174.369535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.369535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.369535 (E_RNA)
where:
Base-Base interactions energy: -109.170
where: short stacking energy: -46.193
Base-Backbone interact. energy: -0.100
local terms energy: -65.099643
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -11.767
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: 443
Temperature: 1.100000
Total energy: -189.159541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.159541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.159541 (E_RNA)
where:
Base-Base interactions energy: -121.896
where: short stacking energy: -62.698
Base-Backbone interact. energy: -0.047
local terms energy: -67.216400
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -90.219778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.219778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.219778 (E_RNA)
where:
Base-Base interactions energy: -34.600
where: short stacking energy: -34.600
Base-Backbone interact. energy: -0.126
local terms energy: -55.493121
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -3.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -98.642913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.642913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.642913 (E_RNA)
where:
Base-Base interactions energy: -43.275
where: short stacking energy: -43.275
Base-Backbone interact. energy: -0.395
local terms energy: -54.972647
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -2.246
tors. eta vs tors. theta energy: -8.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -83.761663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.761663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.761663 (E_RNA)
where:
Base-Base interactions energy: -31.128
where: short stacking energy: -29.630
Base-Backbone interact. energy: -0.277
local terms energy: -52.356882
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -4.942
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: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -80.129483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.129483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.129483 (E_RNA)
where:
Base-Base interactions energy: -30.032
where: short stacking energy: -28.787
Base-Backbone interact. energy: -0.036
local terms energy: -50.060645
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -8.718
flat angles C4'-P-C4' energy: -10.008
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -5.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -74.082923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.082923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.082923 (E_RNA)
where:
Base-Base interactions energy: -21.089
where: short stacking energy: -21.089
Base-Backbone interact. energy: -0.193
local terms energy: -52.801370
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -8.265
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -192.683826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.683826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.683826 (E_RNA)
where:
Base-Base interactions energy: -123.108
where: short stacking energy: -61.246
Base-Backbone interact. energy: -0.198
local terms energy: -69.377519
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -186.340581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.340581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.340581 (E_RNA)
where:
Base-Base interactions energy: -117.245
where: short stacking energy: -54.594
Base-Backbone interact. energy: -0.100
local terms energy: -68.995597
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -172.947221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.947221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.947221 (E_RNA)
where:
Base-Base interactions energy: -102.253
where: short stacking energy: -57.486
Base-Backbone interact. energy: -0.400
local terms energy: -70.293993
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -17.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -188.352238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.352238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.352238 (E_RNA)
where:
Base-Base interactions energy: -124.150
where: short stacking energy: -47.609
Base-Backbone interact. energy: -1.294
local terms energy: -62.908846
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -7.855
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: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -170.093819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.093819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.093819 (E_RNA)
where:
Base-Base interactions energy: -101.933
where: short stacking energy: -52.652
Base-Backbone interact. energy: -0.015
local terms energy: -68.146150
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -16.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -92.423554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.423554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.423554 (E_RNA)
where:
Base-Base interactions energy: -32.966
where: short stacking energy: -30.624
Base-Backbone interact. energy: 0.999
local terms energy: -60.456045
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -9.929
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: 7, replica: 6
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -102.383184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.383184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.383184 (E_RNA)
where:
Base-Base interactions energy: -44.878
where: short stacking energy: -40.258
Base-Backbone interact. energy: -0.019
local terms energy: -57.485885
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -9.838
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -9.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -90.082448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.082448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.082448 (E_RNA)
where:
Base-Base interactions energy: -30.467
where: short stacking energy: -27.902
Base-Backbone interact. energy: -0.134
local terms energy: -59.481298
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -11.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -86.598399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.598399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.598399 (E_RNA)
where:
Base-Base interactions energy: -31.799
where: short stacking energy: -30.085
Base-Backbone interact. energy: -0.027
local terms energy: -54.772862
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -10.282
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -4.895
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: 7
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -82.425862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.425862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.425862 (E_RNA)
where:
Base-Base interactions energy: -36.571
where: short stacking energy: -19.993
Base-Backbone interact. energy: -0.203
local terms energy: -45.651836
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -11.364
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -5.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -195.570633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.570633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.570633 (E_RNA)
where:
Base-Base interactions energy: -132.119
where: short stacking energy: -59.393
Base-Backbone interact. energy: -1.226
local terms energy: -62.225116
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -7.435
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -165.247189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.247189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.247189 (E_RNA)
where:
Base-Base interactions energy: -104.758
where: short stacking energy: -59.095
Base-Backbone interact. energy: -0.070
local terms energy: -60.418769
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -10.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -183.783094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.783094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.783094 (E_RNA)
where:
Base-Base interactions energy: -112.533
where: short stacking energy: -43.662
Base-Backbone interact. energy: -0.073
local terms energy: -71.176488
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -12.840
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: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -186.891104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.891104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.891104 (E_RNA)
where:
Base-Base interactions energy: -115.830
where: short stacking energy: -49.280
Base-Backbone interact. energy: -0.008
local terms energy: -71.053011
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -12.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -168.094491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.094491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.094491 (E_RNA)
where:
Base-Base interactions energy: -105.757
where: short stacking energy: -55.198
Base-Backbone interact. energy: -0.032
local terms energy: -62.305393
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -11.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -95.093076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.093076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.093076 (E_RNA)
where:
Base-Base interactions energy: -38.598
where: short stacking energy: -26.631
Base-Backbone interact. energy: -0.150
local terms energy: -56.344561
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -10.055
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: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -96.610194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.610194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.610194 (E_RNA)
where:
Base-Base interactions energy: -40.068
where: short stacking energy: -26.818
Base-Backbone interact. energy: -0.133
local terms energy: -56.409349
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -76.289975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.289975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.289975 (E_RNA)
where:
Base-Base interactions energy: -27.539
where: short stacking energy: -23.279
Base-Backbone interact. energy: 0.221
local terms energy: -48.971907
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -11.900
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -0.160
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: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -78.980501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.980501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.980501 (E_RNA)
where:
Base-Base interactions energy: -28.984
where: short stacking energy: -28.506
Base-Backbone interact. energy: 3.057
local terms energy: -53.053446
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -11.265
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -7.481
tors. eta vs tors. theta energy: -5.744
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: 10, replica: 7
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -69.913654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.913654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.913654 (E_RNA)
where:
Base-Base interactions energy: -27.412
where: short stacking energy: -17.866
Base-Backbone interact. energy: -0.620
local terms energy: -41.881161
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -7.614
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: 3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -203.768824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.768824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.768824 (E_RNA)
where:
Base-Base interactions energy: -132.038
where: short stacking energy: -57.518
Base-Backbone interact. energy: -0.143
local terms energy: -71.588586
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -11.175
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -11.870
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: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -166.940198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.940198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.940198 (E_RNA)
where:
Base-Base interactions energy: -96.263
where: short stacking energy: -62.751
Base-Backbone interact. energy: -0.044
local terms energy: -70.633418
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -8.253
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: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -193.863623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.863623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.863623 (E_RNA)
where:
Base-Base interactions energy: -135.029
where: short stacking energy: -70.909
Base-Backbone interact. energy: -0.066
local terms energy: -58.768826
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -5.682
flat angles C4'-P-C4' energy: -17.697
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -14.615
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: 4, replica: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -187.245463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.245463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.245463 (E_RNA)
where:
Base-Base interactions energy: -119.543
where: short stacking energy: -57.895
Base-Backbone interact. energy: -0.065
local terms energy: -67.637374
where:
bonds (distance) C4'-P energy: -14.108
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -12.524
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: 5, replica: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -178.397000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.397000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.397000 (E_RNA)
where:
Base-Base interactions energy: -109.300
where: short stacking energy: -55.961
Base-Backbone interact. energy: -0.437
local terms energy: -68.659427
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -12.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -104.354906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.354906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.354906 (E_RNA)
where:
Base-Base interactions energy: -51.899
where: short stacking energy: -30.660
Base-Backbone interact. energy: -0.168
local terms energy: -52.288793
where:
bonds (distance) C4'-P energy: -12.022
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -88.204421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.204421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.204421 (E_RNA)
where:
Base-Base interactions energy: -34.558
where: short stacking energy: -34.558
Base-Backbone interact. energy: -0.045
local terms energy: -53.601564
where:
bonds (distance) C4'-P energy: -12.099
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -5.408
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: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -89.054771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.054771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.054771 (E_RNA)
where:
Base-Base interactions energy: -39.856
where: short stacking energy: -27.213
Base-Backbone interact. energy: -0.496
local terms energy: -48.702820
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -74.261863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.261863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.261863 (E_RNA)
where:
Base-Base interactions energy: -15.458
where: short stacking energy: -14.200
Base-Backbone interact. energy: -0.327
local terms energy: -58.477368
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -7.777
tors. eta vs tors. theta energy: -6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -78.668374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.668374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.668374 (E_RNA)
where:
Base-Base interactions energy: -34.265
where: short stacking energy: -29.838
Base-Backbone interact. energy: -0.096
local terms energy: -44.307939
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -8.166
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -5.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -199.348756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.348756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.348756 (E_RNA)
where:
Base-Base interactions energy: -129.764
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.451
local terms energy: -69.133955
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -8.292
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: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -192.655104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.655104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.655104 (E_RNA)
where:
Base-Base interactions energy: -121.181
where: short stacking energy: -67.766
Base-Backbone interact. energy: -0.001
local terms energy: -71.473454
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -186.238332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.238332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.238332 (E_RNA)
where:
Base-Base interactions energy: -123.123
where: short stacking energy: -49.900
Base-Backbone interact. energy: -0.284
local terms energy: -62.831804
where:
bonds (distance) C4'-P energy: -11.156
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -10.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -178.899461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.899461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.899461 (E_RNA)
where:
Base-Base interactions energy: -109.581
where: short stacking energy: -50.113
Base-Backbone interact. energy: -0.030
local terms energy: -69.288873
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -11.486
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -13.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -172.494849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.494849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.494849 (E_RNA)
where:
Base-Base interactions energy: -114.607
where: short stacking energy: -53.570
Base-Backbone interact. energy: -0.124
local terms energy: -57.763571
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.000
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -8.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -98.421614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.421614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.421614 (E_RNA)
where:
Base-Base interactions energy: -42.581
where: short stacking energy: -42.581
Base-Backbone interact. energy: 1.208
local terms energy: -57.048741
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -6.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -88.324640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.324640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.324640 (E_RNA)
where:
Base-Base interactions energy: -44.633
where: short stacking energy: -38.349
Base-Backbone interact. energy: -0.040
local terms energy: -43.651525
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -13.240
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -4.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -96.632984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.632984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.632984 (E_RNA)
where:
Base-Base interactions energy: -29.394
where: short stacking energy: -29.394
Base-Backbone interact. energy: -0.025
local terms energy: -67.213318
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -6.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -85.397593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.397593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.397593 (E_RNA)
where:
Base-Base interactions energy: -23.918
where: short stacking energy: -23.918
Base-Backbone interact. energy: -0.133
local terms energy: -61.346627
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -9.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -92.908247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.908247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.908247 (E_RNA)
where:
Base-Base interactions energy: -43.397
where: short stacking energy: -24.774
Base-Backbone interact. energy: -0.358
local terms energy: -49.152699
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -8.215
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: 5
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -210.724129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.724129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.724129 (E_RNA)
where:
Base-Base interactions energy: -133.510
where: short stacking energy: -63.727
Base-Backbone interact. energy: -0.012
local terms energy: -77.202001
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -192.324406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.324406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.324406 (E_RNA)
where:
Base-Base interactions energy: -120.144
where: short stacking energy: -66.133
Base-Backbone interact. energy: -0.077
local terms energy: -72.104045
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -17.738
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: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -183.542867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.542867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.542867 (E_RNA)
where:
Base-Base interactions energy: -113.582
where: short stacking energy: -56.481
Base-Backbone interact. energy: -0.576
local terms energy: -69.384833
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -171.995877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.995877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.995877 (E_RNA)
where:
Base-Base interactions energy: -121.045
where: short stacking energy: -49.760
Base-Backbone interact. energy: 0.819
local terms energy: -51.769375
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -9.811
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -6.289
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: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -169.755209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.755209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.755209 (E_RNA)
where:
Base-Base interactions energy: -105.998
where: short stacking energy: -54.529
Base-Backbone interact. energy: -0.154
local terms energy: -63.603881
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -14.958
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -90.325666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.325666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.325666 (E_RNA)
where:
Base-Base interactions energy: -35.601
where: short stacking energy: -29.803
Base-Backbone interact. energy: -0.307
local terms energy: -54.417486
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -85.368600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.368600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.368600 (E_RNA)
where:
Base-Base interactions energy: -34.783
where: short stacking energy: -34.256
Base-Backbone interact. energy: -0.132
local terms energy: -50.453412
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -14.898
flat angles C4'-P-C4' energy: -10.566
flat angles P-C4'-P energy: -4.387
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: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -82.244155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.244155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.244155 (E_RNA)
where:
Base-Base interactions energy: -32.966
where: short stacking energy: -31.978
Base-Backbone interact. energy: 0.357
local terms energy: -49.634949
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -2.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -90.493202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.493202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.493202 (E_RNA)
where:
Base-Base interactions energy: -41.495
where: short stacking energy: -25.626
Base-Backbone interact. energy: -0.195
local terms energy: -48.802567
where:
bonds (distance) C4'-P energy: -8.138
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -8.363
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: 7
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -73.574207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.574207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.574207 (E_RNA)
where:
Base-Base interactions energy: -24.319
where: short stacking energy: -13.469
Base-Backbone interact. energy: 1.553
local terms energy: -50.808310
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -1.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -206.225848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.225848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.225848 (E_RNA)
where:
Base-Base interactions energy: -133.256
where: short stacking energy: -62.737
Base-Backbone interact. energy: -0.003
local terms energy: -72.966695
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -10.529
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: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -185.084533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.084533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.084533 (E_RNA)
where:
Base-Base interactions energy: -114.769
where: short stacking energy: -58.097
Base-Backbone interact. energy: -0.551
local terms energy: -69.763945
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -185.348256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.348256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.348256 (E_RNA)
where:
Base-Base interactions energy: -114.056
where: short stacking energy: -51.452
Base-Backbone interact. energy: -0.135
local terms energy: -71.156978
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -14.600
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: 449
Temperature: 1.050000
Total energy: -181.044030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.044030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.044030 (E_RNA)
where:
Base-Base interactions energy: -110.678
where: short stacking energy: -55.089
Base-Backbone interact. energy: -0.001
local terms energy: -70.365179
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -163.685133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.685133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.685133 (E_RNA)
where:
Base-Base interactions energy: -100.037
where: short stacking energy: -44.037
Base-Backbone interact. energy: -0.621
local terms energy: -63.027420
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -10.475
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -92.019528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.019528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.019528 (E_RNA)
where:
Base-Base interactions energy: -38.322
where: short stacking energy: -38.322
Base-Backbone interact. energy: -0.021
local terms energy: -53.676931
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -2.800
tors. eta vs tors. theta energy: -10.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -89.164013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.164013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.164013 (E_RNA)
where:
Base-Base interactions energy: -36.025
where: short stacking energy: -35.045
Base-Backbone interact. energy: -0.352
local terms energy: -52.787081
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -10.588
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: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -83.203864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.203864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.203864 (E_RNA)
where:
Base-Base interactions energy: -27.053
where: short stacking energy: -27.053
Base-Backbone interact. energy: 0.014
local terms energy: -56.165484
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -92.578279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.578279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.578279 (E_RNA)
where:
Base-Base interactions energy: -35.371
where: short stacking energy: -20.504
Base-Backbone interact. energy: -0.059
local terms energy: -57.148480
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -7.970
tors. eta vs tors. theta energy: -6.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -83.142109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.142109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.142109 (E_RNA)
where:
Base-Base interactions energy: -24.108
where: short stacking energy: -22.185
Base-Backbone interact. energy: -0.147
local terms energy: -58.886496
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -6.552
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: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -212.249772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.249772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.249772 (E_RNA)
where:
Base-Base interactions energy: -141.378
where: short stacking energy: -51.479
Base-Backbone interact. energy: 0.446
local terms energy: -71.317737
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.199
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -12.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -199.186041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.186041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.186041 (E_RNA)
where:
Base-Base interactions energy: -124.928
where: short stacking energy: -48.759
Base-Backbone interact. energy: -0.261
local terms energy: -73.997149
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -189.672167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.672167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.672167 (E_RNA)
where:
Base-Base interactions energy: -124.006
where: short stacking energy: -62.302
Base-Backbone interact. energy: -0.081
local terms energy: -65.584865
where:
bonds (distance) C4'-P energy: -7.367
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -8.719
tors. eta vs tors. theta energy: -16.898
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: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -177.854856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.854856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.854856 (E_RNA)
where:
Base-Base interactions energy: -113.070
where: short stacking energy: -59.596
Base-Backbone interact. energy: -0.107
local terms energy: -64.677973
where:
bonds (distance) C4'-P energy: -10.442
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -10.958
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -18.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -187.179826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.179826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.179826 (E_RNA)
where:
Base-Base interactions energy: -119.375
where: short stacking energy: -66.212
Base-Backbone interact. energy: -0.314
local terms energy: -67.490906
where:
bonds (distance) C4'-P energy: -10.631
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -91.453088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.453088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.453088 (E_RNA)
where:
Base-Base interactions energy: -38.868
where: short stacking energy: -38.868
Base-Backbone interact. energy: 0.205
local terms energy: -52.791014
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -11.350
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -3.979
tors. eta vs tors. theta energy: -10.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -88.590922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.590922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.590922 (E_RNA)
where:
Base-Base interactions energy: -32.859
where: short stacking energy: -32.859
Base-Backbone interact. energy: -0.714
local terms energy: -55.017207
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -93.973124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.973124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.973124 (E_RNA)
where:
Base-Base interactions energy: -45.491
where: short stacking energy: -35.785
Base-Backbone interact. energy: -0.003
local terms energy: -48.479636
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -78.149302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.149302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.149302 (E_RNA)
where:
Base-Base interactions energy: -32.349
where: short stacking energy: -23.794
Base-Backbone interact. energy: 0.217
local terms energy: -46.017707
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: 0.255
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: 450
Temperature: 1.350000
Total energy: -67.186999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.186999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.186999 (E_RNA)
where:
Base-Base interactions energy: -21.557
where: short stacking energy: -16.996
Base-Backbone interact. energy: -0.161
local terms energy: -45.469038
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: 1.042
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: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -214.946873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.946873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.946873 (E_RNA)
where:
Base-Base interactions energy: -133.662
where: short stacking energy: -61.955
Base-Backbone interact. energy: -0.001
local terms energy: -81.284578
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -17.515
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: 5
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -193.864154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.864154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.864154 (E_RNA)
where:
Base-Base interactions energy: -124.137
where: short stacking energy: -60.816
Base-Backbone interact. energy: -0.391
local terms energy: -69.335657
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -16.887
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: 10
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -175.105813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.105813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.105813 (E_RNA)
where:
Base-Base interactions energy: -103.499
where: short stacking energy: -49.564
Base-Backbone interact. energy: -0.087
local terms energy: -71.519784
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -177.340442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.340442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.340442 (E_RNA)
where:
Base-Base interactions energy: -107.704
where: short stacking energy: -62.431
Base-Backbone interact. energy: -0.589
local terms energy: -69.048229
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -17.275
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: 5, replica: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -182.259651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.259651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.259651 (E_RNA)
where:
Base-Base interactions energy: -107.524
where: short stacking energy: -59.050
Base-Backbone interact. energy: -0.012
local terms energy: -74.723402
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -109.682861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.682861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.682861 (E_RNA)
where:
Base-Base interactions energy: -57.522
where: short stacking energy: -40.499
Base-Backbone interact. energy: -0.402
local terms energy: -51.759024
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -11.884
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -5.050
tors. eta vs tors. theta energy: -8.313
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: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -92.491981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.491981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.491981 (E_RNA)
where:
Base-Base interactions energy: -34.102
where: short stacking energy: -29.740
Base-Backbone interact. energy: -0.114
local terms energy: -58.276499
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -6.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -83.978506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.978506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.978506 (E_RNA)
where:
Base-Base interactions energy: -28.790
where: short stacking energy: -28.790
Base-Backbone interact. energy: -0.327
local terms energy: -54.861944
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -4.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -87.174128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.174128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.174128 (E_RNA)
where:
Base-Base interactions energy: -32.066
where: short stacking energy: -28.696
Base-Backbone interact. energy: -0.014
local terms energy: -55.094056
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -88.292013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.292013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.292013 (E_RNA)
where:
Base-Base interactions energy: -34.444
where: short stacking energy: -30.667
Base-Backbone interact. energy: 0.088
local terms energy: -53.936706
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -3.575
tors. eta vs tors. theta energy: -7.020
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: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -207.676486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.676486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.676486 (E_RNA)
where:
Base-Base interactions energy: -137.906
where: short stacking energy: -54.655
Base-Backbone interact. energy: -0.006
local terms energy: -69.763845
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -7.067
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: 2, replica: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -187.292594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.292594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.292594 (E_RNA)
where:
Base-Base interactions energy: -116.114
where: short stacking energy: -58.854
Base-Backbone interact. energy: -0.669
local terms energy: -70.509765
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -15.268
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: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -180.224203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.224203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.224203 (E_RNA)
where:
Base-Base interactions energy: -106.496
where: short stacking energy: -58.485
Base-Backbone interact. energy: -0.000
local terms energy: -73.727876
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -15.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -181.504597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.504597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.504597 (E_RNA)
where:
Base-Base interactions energy: -113.645
where: short stacking energy: -59.615
Base-Backbone interact. energy: -0.103
local terms energy: -67.756887
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -18.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -172.744623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.744623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.744623 (E_RNA)
where:
Base-Base interactions energy: -106.365
where: short stacking energy: -42.674
Base-Backbone interact. energy: -0.103
local terms energy: -66.276317
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -14.346
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: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -94.015926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.015926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.015926 (E_RNA)
where:
Base-Base interactions energy: -38.881
where: short stacking energy: -37.810
Base-Backbone interact. energy: -0.065
local terms energy: -55.070469
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -7.015
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: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -89.375599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.375599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.375599 (E_RNA)
where:
Base-Base interactions energy: -37.227
where: short stacking energy: -27.111
Base-Backbone interact. energy: -0.290
local terms energy: -51.858247
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -11.277
flat angles P-C4'-P energy: -6.373
tors. eta vs tors. theta energy: -6.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -94.427260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.427260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.427260 (E_RNA)
where:
Base-Base interactions energy: -36.103
where: short stacking energy: -36.103
Base-Backbone interact. energy: 0.240
local terms energy: -58.564752
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -9.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -80.019403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.019403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.019403 (E_RNA)
where:
Base-Base interactions energy: -27.458
where: short stacking energy: -26.580
Base-Backbone interact. energy: -1.010
local terms energy: -51.551659
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -4.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -74.208389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.208389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.208389 (E_RNA)
where:
Base-Base interactions energy: -31.288
where: short stacking energy: -29.205
Base-Backbone interact. energy: 0.366
local terms energy: -43.287032
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -8.785
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -2.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -205.869516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.869516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.869516 (E_RNA)
where:
Base-Base interactions energy: -135.231
where: short stacking energy: -46.520
Base-Backbone interact. energy: -0.135
local terms energy: -70.502701
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -12.177
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: 2, replica: 3
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -183.855871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.855871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.855871 (E_RNA)
where:
Base-Base interactions energy: -115.278
where: short stacking energy: -53.385
Base-Backbone interact. energy: -0.520
local terms energy: -68.058063
where:
bonds (distance) C4'-P energy: -16.387
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -187.905961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.905961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.905961 (E_RNA)
where:
Base-Base interactions energy: -108.656
where: short stacking energy: -52.100
Base-Backbone interact. energy: -0.305
local terms energy: -78.944212
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -16.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -167.506062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.506062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.506062 (E_RNA)
where:
Base-Base interactions energy: -103.832
where: short stacking energy: -50.661
Base-Backbone interact. energy: -0.399
local terms energy: -63.274418
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -10.517
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: 5, replica: 4
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -167.692448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.692448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.692448 (E_RNA)
where:
Base-Base interactions energy: -100.326
where: short stacking energy: -47.297
Base-Backbone interact. energy: -0.194
local terms energy: -67.172551
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -12.021
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: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -114.534276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.534276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.534276 (E_RNA)
where:
Base-Base interactions energy: -46.216
where: short stacking energy: -44.142
Base-Backbone interact. energy: -0.017
local terms energy: -68.301671
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -10.122
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: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -94.425484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.425484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.425484 (E_RNA)
where:
Base-Base interactions energy: -42.550
where: short stacking energy: -35.607
Base-Backbone interact. energy: -0.309
local terms energy: -51.566345
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -6.460
tors. eta vs tors. theta energy: -0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -90.377753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.377753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.377753 (E_RNA)
where:
Base-Base interactions energy: -38.396
where: short stacking energy: -33.779
Base-Backbone interact. energy: -0.170
local terms energy: -51.812107
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -4.845
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: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -74.328236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.328236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.328236 (E_RNA)
where:
Base-Base interactions energy: -30.355
where: short stacking energy: -21.832
Base-Backbone interact. energy: -0.198
local terms energy: -43.775016
where:
bonds (distance) C4'-P energy: -10.967
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -7.950
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: 10, replica: 6
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -76.829964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.829964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.829964 (E_RNA)
where:
Base-Base interactions energy: -23.686
where: short stacking energy: -23.686
Base-Backbone interact. energy: -0.118
local terms energy: -53.025849
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -9.589
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -209.898907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.898907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.898907 (E_RNA)
where:
Base-Base interactions energy: -135.366
where: short stacking energy: -63.783
Base-Backbone interact. energy: -0.002
local terms energy: -74.531244
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -9.898
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: 454
Temperature: 0.950000
Total energy: -192.100626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.100626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.100626 (E_RNA)
where:
Base-Base interactions energy: -126.955
where: short stacking energy: -58.426
Base-Backbone interact. energy: -0.012
local terms energy: -65.134017
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -12.975
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -201.437253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.437253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.437253 (E_RNA)
where:
Base-Base interactions energy: -132.209
where: short stacking energy: -63.082
Base-Backbone interact. energy: -0.004
local terms energy: -69.223840
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -174.499230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.499230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.499230 (E_RNA)
where:
Base-Base interactions energy: -111.815
where: short stacking energy: -56.635
Base-Backbone interact. energy: -0.170
local terms energy: -62.514392
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -13.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -169.905396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.905396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.905396 (E_RNA)
where:
Base-Base interactions energy: -94.864
where: short stacking energy: -50.979
Base-Backbone interact. energy: 0.092
local terms energy: -75.132610
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -18.185
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: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -99.328315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.328315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.328315 (E_RNA)
where:
Base-Base interactions energy: -39.028
where: short stacking energy: -38.543
Base-Backbone interact. energy: -0.201
local terms energy: -60.099745
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -11.051
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: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -104.549211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.549211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.549211 (E_RNA)
where:
Base-Base interactions energy: -46.516
where: short stacking energy: -42.556
Base-Backbone interact. energy: -0.061
local terms energy: -57.972504
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -80.567821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.567821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.567821 (E_RNA)
where:
Base-Base interactions energy: -31.767
where: short stacking energy: -26.509
Base-Backbone interact. energy: -0.639
local terms energy: -48.161321
where:
bonds (distance) C4'-P energy: -10.008
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -3.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -75.892160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.892160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.892160 (E_RNA)
where:
Base-Base interactions energy: -26.889
where: short stacking energy: -21.059
Base-Backbone interact. energy: -0.074
local terms energy: -48.929550
where:
bonds (distance) C4'-P energy: -12.144
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: 0.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -73.030183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.030183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.030183 (E_RNA)
where:
Base-Base interactions energy: -24.359
where: short stacking energy: -23.310
Base-Backbone interact. energy: -0.073
local terms energy: -48.599043
where:
bonds (distance) C4'-P energy: -12.081
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -5.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -211.188014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.188014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.188014 (E_RNA)
where:
Base-Base interactions energy: -136.827
where: short stacking energy: -59.880
Base-Backbone interact. energy: -0.010
local terms energy: -74.351353
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -15.864
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: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -203.756180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.756180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.756180 (E_RNA)
where:
Base-Base interactions energy: -134.337
where: short stacking energy: -42.446
Base-Backbone interact. energy: -0.022
local terms energy: -69.397227
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -14.661
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: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -195.078240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.078240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.078240 (E_RNA)
where:
Base-Base interactions energy: -127.011
where: short stacking energy: -54.569
Base-Backbone interact. energy: -0.493
local terms energy: -67.574064
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -13.489
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: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -170.876707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.876707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.876707 (E_RNA)
where:
Base-Base interactions energy: -102.817
where: short stacking energy: -49.719
Base-Backbone interact. energy: -0.420
local terms energy: -67.639877
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -13.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -174.044544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.044544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.044544 (E_RNA)
where:
Base-Base interactions energy: -110.531
where: short stacking energy: -50.729
Base-Backbone interact. energy: -0.014
local terms energy: -63.499764
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -14.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -92.137362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.137362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.137362 (E_RNA)
where:
Base-Base interactions energy: -44.343
where: short stacking energy: -29.817
Base-Backbone interact. energy: -0.506
local terms energy: -47.288486
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -7.208
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -1.026
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: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -93.456552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.456552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.456552 (E_RNA)
where:
Base-Base interactions energy: -39.896
where: short stacking energy: -39.896
Base-Backbone interact. energy: -0.155
local terms energy: -53.405126
where:
bonds (distance) C4'-P energy: -7.753
bonds (distance) P-C4' energy: -10.133
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -7.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -92.469714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.469714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.469714 (E_RNA)
where:
Base-Base interactions energy: -36.076
where: short stacking energy: -35.628
Base-Backbone interact. energy: 0.612
local terms energy: -57.006023
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -9.038
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -72.546817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.546817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.546817 (E_RNA)
where:
Base-Base interactions energy: -20.824
where: short stacking energy: -20.034
Base-Backbone interact. energy: -0.154
local terms energy: -51.568544
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -81.787766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.787766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.787766 (E_RNA)
where:
Base-Base interactions energy: -23.635
where: short stacking energy: -23.635
Base-Backbone interact. energy: -0.184
local terms energy: -57.968522
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -4.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -210.942632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.942632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.942632 (E_RNA)
where:
Base-Base interactions energy: -139.783
where: short stacking energy: -57.146
Base-Backbone interact. energy: -0.002
local terms energy: -71.157536
where:
bonds (distance) C4'-P energy: -11.866
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -12.947
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: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -197.000757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.000757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.000757 (E_RNA)
where:
Base-Base interactions energy: -127.784
where: short stacking energy: -60.765
Base-Backbone interact. energy: 0.188
local terms energy: -69.404950
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -13.108
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: 3, replica: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -179.624432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.624432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.624432 (E_RNA)
where:
Base-Base interactions energy: -111.986
where: short stacking energy: -54.457
Base-Backbone interact. energy: -0.095
local terms energy: -67.544025
where:
bonds (distance) C4'-P energy: -9.601
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -194.563522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.563522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.563522 (E_RNA)
where:
Base-Base interactions energy: -121.912
where: short stacking energy: -55.664
Base-Backbone interact. energy: -0.003
local terms energy: -72.648162
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -93.910201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.910201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.910201 (E_RNA)
where:
Base-Base interactions energy: -36.794
where: short stacking energy: -35.587
Base-Backbone interact. energy: -0.201
local terms energy: -56.914958
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -155.360974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.360974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.360974 (E_RNA)
where:
Base-Base interactions energy: -100.231
where: short stacking energy: -43.784
Base-Backbone interact. energy: -0.145
local terms energy: -54.984607
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -11.173
flat angles P-C4'-P energy: 2.339
tors. eta vs tors. theta energy: -12.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -95.293134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.293134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.293134 (E_RNA)
where:
Base-Base interactions energy: -36.233
where: short stacking energy: -36.089
Base-Backbone interact. energy: -0.054
local terms energy: -59.006476
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -7.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -87.020488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.020488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.020488 (E_RNA)
where:
Base-Base interactions energy: -34.482
where: short stacking energy: -32.579
Base-Backbone interact. energy: -0.098
local terms energy: -52.439786
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -8.491
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -74.494741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.494741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.494741 (E_RNA)
where:
Base-Base interactions energy: -31.199
where: short stacking energy: -31.199
Base-Backbone interact. energy: -0.096
local terms energy: -43.199984
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -2.879
tors. eta vs tors. theta energy: -3.292
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: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -70.579165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.579165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.579165 (E_RNA)
where:
Base-Base interactions energy: -23.355
where: short stacking energy: -23.355
Base-Backbone interact. energy: -0.023
local terms energy: -47.200708
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -10.396
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -2.648
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: 1, replica: 3
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -212.485819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.485819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.485819 (E_RNA)
where:
Base-Base interactions energy: -140.562
where: short stacking energy: -56.841
Base-Backbone interact. energy: -0.318
local terms energy: -71.605613
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -11.592
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -18.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -199.250813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.250813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.250813 (E_RNA)
where:
Base-Base interactions energy: -126.402
where: short stacking energy: -65.525
Base-Backbone interact. energy: -0.468
local terms energy: -72.380373
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -10.436
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: 3, replica: 4
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -184.447328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.447328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.447328 (E_RNA)
where:
Base-Base interactions energy: -116.423
where: short stacking energy: -56.844
Base-Backbone interact. energy: -0.338
local terms energy: -67.685600
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -8.957
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -16.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -189.064680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.064680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.064680 (E_RNA)
where:
Base-Base interactions energy: -116.274
where: short stacking energy: -54.608
Base-Backbone interact. energy: -0.002
local terms energy: -72.787938
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -11.110
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -18.837
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: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -105.985207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.985207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.985207 (E_RNA)
where:
Base-Base interactions energy: -48.390
where: short stacking energy: -45.766
Base-Backbone interact. energy: 1.295
local terms energy: -58.890206
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -7.984
tors. eta vs tors. theta energy: -8.656
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: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -160.110175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.110175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.110175 (E_RNA)
where:
Base-Base interactions energy: -106.340
where: short stacking energy: -45.211
Base-Backbone interact. energy: -0.207
local terms energy: -53.563527
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -5.345
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -97.201996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.201996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.201996 (E_RNA)
where:
Base-Base interactions energy: -39.009
where: short stacking energy: -29.137
Base-Backbone interact. energy: -0.095
local terms energy: -58.097690
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -7.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -95.159538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.159538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.159538 (E_RNA)
where:
Base-Base interactions energy: -32.224
where: short stacking energy: -32.224
Base-Backbone interact. energy: -0.076
local terms energy: -62.860430
where:
bonds (distance) C4'-P energy: -15.870
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -9.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -71.100545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.100545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.100545 (E_RNA)
where:
Base-Base interactions energy: -23.133
where: short stacking energy: -22.312
Base-Backbone interact. energy: 1.206
local terms energy: -49.173795
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -11.372
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: 1.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -81.205929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.205929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.205929 (E_RNA)
where:
Base-Base interactions energy: -35.486
where: short stacking energy: -29.175
Base-Backbone interact. energy: -0.019
local terms energy: -45.701522
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -207.448411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.448411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.448411 (E_RNA)
where:
Base-Base interactions energy: -133.984
where: short stacking energy: -58.045
Base-Backbone interact. energy: -0.016
local terms energy: -73.449221
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -195.806730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.806730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.806730 (E_RNA)
where:
Base-Base interactions energy: -115.610
where: short stacking energy: -58.923
Base-Backbone interact. energy: -0.208
local terms energy: -79.988798
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -13.824
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: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -187.794136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.794136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.794136 (E_RNA)
where:
Base-Base interactions energy: -115.329
where: short stacking energy: -53.415
Base-Backbone interact. energy: -0.137
local terms energy: -72.327938
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -12.563
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: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -173.022614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.022614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.022614 (E_RNA)
where:
Base-Base interactions energy: -106.612
where: short stacking energy: -47.403
Base-Backbone interact. energy: -0.668
local terms energy: -65.742733
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -11.774
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: 10
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -175.088163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.088163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.088163 (E_RNA)
where:
Base-Base interactions energy: -112.912
where: short stacking energy: -51.667
Base-Backbone interact. energy: -0.006
local terms energy: -62.170030
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -13.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -107.837678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.837678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.837678 (E_RNA)
where:
Base-Base interactions energy: -46.257
where: short stacking energy: -41.355
Base-Backbone interact. energy: 0.023
local terms energy: -61.603155
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -6.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -87.476742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.476742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.476742 (E_RNA)
where:
Base-Base interactions energy: -36.670
where: short stacking energy: -35.575
Base-Backbone interact. energy: -0.016
local terms energy: -50.790572
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -8.809
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: -9.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -91.698242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.698242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.698242 (E_RNA)
where:
Base-Base interactions energy: -32.366
where: short stacking energy: -28.810
Base-Backbone interact. energy: -0.163
local terms energy: -59.168813
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -12.486
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: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -90.916784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.916784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.916784 (E_RNA)
where:
Base-Base interactions energy: -38.040
where: short stacking energy: -34.895
Base-Backbone interact. energy: -0.102
local terms energy: -52.774060
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -2.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -78.230201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.230201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.230201 (E_RNA)
where:
Base-Base interactions energy: -32.125
where: short stacking energy: -32.125
Base-Backbone interact. energy: -0.093
local terms energy: -46.011588
where:
bonds (distance) C4'-P energy: -7.399
bonds (distance) P-C4' energy: -12.316
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -6.306
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: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -201.429634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.429634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.429634 (E_RNA)
where:
Base-Base interactions energy: -128.170
where: short stacking energy: -62.193
Base-Backbone interact. energy: -0.001
local terms energy: -73.259231
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -12.855
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -20.576
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: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -187.941438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.941438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.941438 (E_RNA)
where:
Base-Base interactions energy: -123.388
where: short stacking energy: -49.891
Base-Backbone interact. energy: 0.652
local terms energy: -65.205295
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -10.709
flat angles P-C4'-P energy: -9.520
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: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -188.643890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.643890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.643890 (E_RNA)
where:
Base-Base interactions energy: -128.535
where: short stacking energy: -61.650
Base-Backbone interact. energy: -0.605
local terms energy: -59.504511
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -15.147
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: 10
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -184.453452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.453452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.453452 (E_RNA)
where:
Base-Base interactions energy: -124.803
where: short stacking energy: -62.208
Base-Backbone interact. energy: -0.066
local terms energy: -59.584149
where:
bonds (distance) C4'-P energy: -4.155
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -168.493645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.493645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.493645 (E_RNA)
where:
Base-Base interactions energy: -98.439
where: short stacking energy: -44.201
Base-Backbone interact. energy: -0.756
local terms energy: -69.298480
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -11.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -97.478030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.478030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.478030 (E_RNA)
where:
Base-Base interactions energy: -49.416
where: short stacking energy: -21.191
Base-Backbone interact. energy: 1.072
local terms energy: -49.134098
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -13.117
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -82.811439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.811439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.811439 (E_RNA)
where:
Base-Base interactions energy: -29.988
where: short stacking energy: -21.369
Base-Backbone interact. energy: 0.433
local terms energy: -53.256583
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -77.390928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.390928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.390928 (E_RNA)
where:
Base-Base interactions energy: -33.645
where: short stacking energy: -26.498
Base-Backbone interact. energy: -0.165
local terms energy: -43.580417
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -9.093
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -79.404375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.404375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.404375 (E_RNA)
where:
Base-Base interactions energy: -31.974
where: short stacking energy: -31.974
Base-Backbone interact. energy: -0.021
local terms energy: -47.409152
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -13.022
flat angles P-C4'-P energy: -2.616
tors. eta vs tors. theta energy: -5.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -65.703011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -65.703011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -65.703011 (E_RNA)
where:
Base-Base interactions energy: -22.349
where: short stacking energy: -17.370
Base-Backbone interact. energy: -0.997
local terms energy: -42.357353
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -14.394
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -3.914
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: 460
Temperature: 0.900000
Total energy: -210.012900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.012900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.012900 (E_RNA)
where:
Base-Base interactions energy: -138.921
where: short stacking energy: -61.617
Base-Backbone interact. energy: -0.144
local terms energy: -70.947271
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -9.517
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -17.899
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: 2, replica: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -194.708692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.708692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.708692 (E_RNA)
where:
Base-Base interactions energy: -123.253
where: short stacking energy: -58.494
Base-Backbone interact. energy: -0.034
local terms energy: -71.420916
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -7.578
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -185.306553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.306553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.306553 (E_RNA)
where:
Base-Base interactions energy: -115.789
where: short stacking energy: -59.856
Base-Backbone interact. energy: -0.777
local terms energy: -68.740937
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -14.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -184.698548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.698548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.698548 (E_RNA)
where:
Base-Base interactions energy: -126.932
where: short stacking energy: -47.525
Base-Backbone interact. energy: -0.139
local terms energy: -57.628006
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -10.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -176.177948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.177948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.177948 (E_RNA)
where:
Base-Base interactions energy: -113.611
where: short stacking energy: -56.379
Base-Backbone interact. energy: -0.001
local terms energy: -62.565710
where:
bonds (distance) C4'-P energy: -7.067
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -99.925665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.925665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.925665 (E_RNA)
where:
Base-Base interactions energy: -47.808
where: short stacking energy: -43.039
Base-Backbone interact. energy: -0.141
local terms energy: -51.977032
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -6.784
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -7.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -89.368698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.368698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.368698 (E_RNA)
where:
Base-Base interactions energy: -33.305
where: short stacking energy: -29.197
Base-Backbone interact. energy: 0.283
local terms energy: -56.346391
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -10.584
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -2.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -89.145072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.145072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.145072 (E_RNA)
where:
Base-Base interactions energy: -35.671
where: short stacking energy: -32.178
Base-Backbone interact. energy: 0.094
local terms energy: -53.568168
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -75.381692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.381692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.381692 (E_RNA)
where:
Base-Base interactions energy: -23.631
where: short stacking energy: -17.402
Base-Backbone interact. energy: 2.179
local terms energy: -53.929781
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -11.959
flat angles C4'-P-C4' energy: -10.609
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -79.335603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.335603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.335603 (E_RNA)
where:
Base-Base interactions energy: -27.166
where: short stacking energy: -24.869
Base-Backbone interact. energy: -0.095
local terms energy: -52.073804
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -10.264
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -12.890
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: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -194.529561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.529561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.529561 (E_RNA)
where:
Base-Base interactions energy: -121.514
where: short stacking energy: -54.693
Base-Backbone interact. energy: -0.036
local terms energy: -72.978807
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -17.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -183.491853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.491853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.491853 (E_RNA)
where:
Base-Base interactions energy: -116.769
where: short stacking energy: -56.052
Base-Backbone interact. energy: -0.115
local terms energy: -66.607737
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -6.758
tors. eta vs tors. theta energy: -15.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -183.341230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.341230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.341230 (E_RNA)
where:
Base-Base interactions energy: -104.131
where: short stacking energy: -65.820
Base-Backbone interact. energy: -0.515
local terms energy: -78.695491
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -12.926
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: 4, replica: 5
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -183.813589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.813589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.813589 (E_RNA)
where:
Base-Base interactions energy: -118.652
where: short stacking energy: -54.424
Base-Backbone interact. energy: -0.389
local terms energy: -64.773021
where:
bonds (distance) C4'-P energy: -12.353
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -9.554
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: 5, replica: 2
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -184.637814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.637814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.637814 (E_RNA)
where:
Base-Base interactions energy: -110.497
where: short stacking energy: -49.137
Base-Backbone interact. energy: -0.759
local terms energy: -73.382389
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -15.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -85.858543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.858543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.858543 (E_RNA)
where:
Base-Base interactions energy: -29.809
where: short stacking energy: -25.821
Base-Backbone interact. energy: -0.266
local terms energy: -55.783780
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -109.470539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.470539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.470539 (E_RNA)
where:
Base-Base interactions energy: -58.689
where: short stacking energy: -30.138
Base-Backbone interact. energy: -0.098
local terms energy: -50.683303
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -8.500
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -0.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -92.812606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.812606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.812606 (E_RNA)
where:
Base-Base interactions energy: -41.148
where: short stacking energy: -40.577
Base-Backbone interact. energy: -0.130
local terms energy: -51.534590
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -8.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -83.490118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.490118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.490118 (E_RNA)
where:
Base-Base interactions energy: -37.236
where: short stacking energy: -27.787
Base-Backbone interact. energy: -0.953
local terms energy: -45.301914
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -6.154
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -75.887282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.887282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.887282 (E_RNA)
where:
Base-Base interactions energy: -28.569
where: short stacking energy: -25.436
Base-Backbone interact. energy: -0.326
local terms energy: -46.992585
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -5.245
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: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -204.105646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.105646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.105646 (E_RNA)
where:
Base-Base interactions energy: -122.717
where: short stacking energy: -67.837
Base-Backbone interact. energy: -1.162
local terms energy: -80.226585
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -23.264
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: 10
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -170.076341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.076341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.076341 (E_RNA)
where:
Base-Base interactions energy: -102.447
where: short stacking energy: -52.936
Base-Backbone interact. energy: -0.188
local terms energy: -67.441266
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -13.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -178.852067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.852067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.852067 (E_RNA)
where:
Base-Base interactions energy: -118.878
where: short stacking energy: -55.578
Base-Backbone interact. energy: -1.138
local terms energy: -58.835303
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -6.478
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -12.891
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: 462
Temperature: 1.050000
Total energy: -177.014184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.014184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.014184 (E_RNA)
where:
Base-Base interactions energy: -107.856
where: short stacking energy: -54.864
Base-Backbone interact. energy: -0.026
local terms energy: -69.132146
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -174.416112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.416112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.416112 (E_RNA)
where:
Base-Base interactions energy: -111.685
where: short stacking energy: -54.036
Base-Backbone interact. energy: -0.114
local terms energy: -62.616583
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -9.911
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -9.554
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -90.115144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.115144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.115144 (E_RNA)
where:
Base-Base interactions energy: -40.009
where: short stacking energy: -29.855
Base-Backbone interact. energy: 1.763
local terms energy: -51.868617
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -5.027
tors. eta vs tors. theta energy: -8.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -87.602575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.602575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.602575 (E_RNA)
where:
Base-Base interactions energy: -30.044
where: short stacking energy: -28.742
Base-Backbone interact. energy: -0.103
local terms energy: -57.455133
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -7.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -100.355985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.355985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.355985 (E_RNA)
where:
Base-Base interactions energy: -50.020
where: short stacking energy: -28.453
Base-Backbone interact. energy: 0.293
local terms energy: -50.629253
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -6.482
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: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -86.367586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.367586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.367586 (E_RNA)
where:
Base-Base interactions energy: -31.850
where: short stacking energy: -26.639
Base-Backbone interact. energy: -0.048
local terms energy: -54.469754
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -15.227
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -79.504878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.504878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.504878 (E_RNA)
where:
Base-Base interactions energy: -43.620
where: short stacking energy: -23.716
Base-Backbone interact. energy: -0.024
local terms energy: -35.860692
where:
bonds (distance) C4'-P energy: -4.808
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -0.147
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: 463
Temperature: 0.900000
Total energy: -201.901832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.901832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.901832 (E_RNA)
where:
Base-Base interactions energy: -130.332
where: short stacking energy: -61.369
Base-Backbone interact. energy: -0.009
local terms energy: -71.561066
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -16.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -202.562662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.562662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.562662 (E_RNA)
where:
Base-Base interactions energy: -131.920
where: short stacking energy: -63.253
Base-Backbone interact. energy: -0.049
local terms energy: -70.593973
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -8.266
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: 3, replica: 10
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -181.767258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.767258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.767258 (E_RNA)
where:
Base-Base interactions energy: -118.316
where: short stacking energy: -47.975
Base-Backbone interact. energy: -0.237
local terms energy: -63.214566
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -12.374
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: 463
Temperature: 1.050000
Total energy: -172.385069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.385069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.385069 (E_RNA)
where:
Base-Base interactions energy: -107.554
where: short stacking energy: -48.530
Base-Backbone interact. energy: -0.228
local terms energy: -64.602761
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -179.867907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.867907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.867907 (E_RNA)
where:
Base-Base interactions energy: -116.749
where: short stacking energy: -53.253
Base-Backbone interact. energy: 0.218
local terms energy: -63.336310
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -14.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -91.308501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.308501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.308501 (E_RNA)
where:
Base-Base interactions energy: -43.157
where: short stacking energy: -40.695
Base-Backbone interact. energy: -0.080
local terms energy: -48.072112
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -3.231
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: 463
Temperature: 1.200000
Total energy: -95.689333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.689333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.689333 (E_RNA)
where:
Base-Base interactions energy: -36.364
where: short stacking energy: -36.364
Base-Backbone interact. energy: -0.169
local terms energy: -59.155933
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -6.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -91.280340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.280340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.280340 (E_RNA)
where:
Base-Base interactions energy: -32.756
where: short stacking energy: -26.879
Base-Backbone interact. energy: -0.145
local terms energy: -58.379072
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.515
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -6.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -75.462442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.462442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.462442 (E_RNA)
where:
Base-Base interactions energy: -26.768
where: short stacking energy: -24.452
Base-Backbone interact. energy: -1.173
local terms energy: -47.521416
where:
bonds (distance) C4'-P energy: -6.846
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -5.114
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: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -71.444648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.444648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.444648 (E_RNA)
where:
Base-Base interactions energy: -18.230
where: short stacking energy: -15.424
Base-Backbone interact. energy: -0.287
local terms energy: -52.927399
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: 1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -209.436471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.436471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.436471 (E_RNA)
where:
Base-Base interactions energy: -134.448
where: short stacking energy: -62.356
Base-Backbone interact. energy: -0.007
local terms energy: -74.982012
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -11.286
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: 2, replica: 3
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -207.522346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.522346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.522346 (E_RNA)
where:
Base-Base interactions energy: -133.900
where: short stacking energy: -59.965
Base-Backbone interact. energy: -0.021
local terms energy: -73.600919
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -181.054709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.054709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.054709 (E_RNA)
where:
Base-Base interactions energy: -123.756
where: short stacking energy: -58.817
Base-Backbone interact. energy: -0.011
local terms energy: -57.288383
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -12.488
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -13.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -179.317096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.317096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.317096 (E_RNA)
where:
Base-Base interactions energy: -109.900
where: short stacking energy: -51.716
Base-Backbone interact. energy: -0.805
local terms energy: -68.612507
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -205.874574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.874574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.874574 (E_RNA)
where:
Base-Base interactions energy: -135.512
where: short stacking energy: -53.972
Base-Backbone interact. energy: -0.031
local terms energy: -70.331600
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -12.280
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -99.809535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.809535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.809535 (E_RNA)
where:
Base-Base interactions energy: -49.879
where: short stacking energy: -32.359
Base-Backbone interact. energy: -0.092
local terms energy: -49.838098
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -7.975
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -83.111032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.111032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.111032 (E_RNA)
where:
Base-Base interactions energy: -37.015
where: short stacking energy: -36.460
Base-Backbone interact. energy: -0.098
local terms energy: -45.997929
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -10.023
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -3.214
tors. eta vs tors. theta energy: -4.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -83.135456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.135456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.135456 (E_RNA)
where:
Base-Base interactions energy: -38.751
where: short stacking energy: -26.331
Base-Backbone interact. energy: -0.509
local terms energy: -43.875157
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -8.255
flat angles P-C4'-P energy: -4.988
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: 9, replica: 8
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -88.641874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.641874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.641874 (E_RNA)
where:
Base-Base interactions energy: -38.472
where: short stacking energy: -37.695
Base-Backbone interact. energy: 0.080
local terms energy: -50.249204
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -3.878
tors. eta vs tors. theta energy: -5.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -79.014966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.014966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.014966 (E_RNA)
where:
Base-Base interactions energy: -23.418
where: short stacking energy: -21.228
Base-Backbone interact. energy: -0.555
local terms energy: -55.042350
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -204.048143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.048143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.048143 (E_RNA)
where:
Base-Base interactions energy: -127.402
where: short stacking energy: -61.882
Base-Backbone interact. energy: -0.005
local terms energy: -76.640422
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -11.352
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: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -197.605356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.605356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.605356 (E_RNA)
where:
Base-Base interactions energy: -125.268
where: short stacking energy: -52.309
Base-Backbone interact. energy: -0.673
local terms energy: -71.664062
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -16.745
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: 3, replica: 10
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -189.017180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.017180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.017180 (E_RNA)
where:
Base-Base interactions energy: -119.168
where: short stacking energy: -53.415
Base-Backbone interact. energy: -0.094
local terms energy: -69.754636
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -175.498260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.498260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.498260 (E_RNA)
where:
Base-Base interactions energy: -107.893
where: short stacking energy: -52.111
Base-Backbone interact. energy: 0.221
local terms energy: -67.826589
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -16.607
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: 2
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -178.334140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.334140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.334140 (E_RNA)
where:
Base-Base interactions energy: -110.100
where: short stacking energy: -51.977
Base-Backbone interact. energy: 0.436
local terms energy: -68.670097
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -14.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -87.361604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.361604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.361604 (E_RNA)
where:
Base-Base interactions energy: -31.898
where: short stacking energy: -26.215
Base-Backbone interact. energy: -0.048
local terms energy: -55.415838
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -2.532
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: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -81.921676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.921676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.921676 (E_RNA)
where:
Base-Base interactions energy: -37.358
where: short stacking energy: -26.037
Base-Backbone interact. energy: -0.353
local terms energy: -44.211041
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -8.432
flat angles P-C4'-P energy: -8.296
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: 8, replica: 8
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -100.904930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.904930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.904930 (E_RNA)
where:
Base-Base interactions energy: -42.730
where: short stacking energy: -42.730
Base-Backbone interact. energy: -0.062
local terms energy: -58.112897
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -10.985
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: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -74.347769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.347769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.347769 (E_RNA)
where:
Base-Base interactions energy: -24.273
where: short stacking energy: -24.273
Base-Backbone interact. energy: -0.090
local terms energy: -49.985485
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -3.747
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: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -79.132016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.132016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.132016 (E_RNA)
where:
Base-Base interactions energy: -37.815
where: short stacking energy: -26.690
Base-Backbone interact. energy: -0.277
local terms energy: -41.039779
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: 3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -213.896613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.896613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.896613 (E_RNA)
where:
Base-Base interactions energy: -133.485
where: short stacking energy: -65.183
Base-Backbone interact. energy: -0.003
local terms energy: -80.408713
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -15.079
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: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -198.991429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.991429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.991429 (E_RNA)
where:
Base-Base interactions energy: -122.983
where: short stacking energy: -57.673
Base-Backbone interact. energy: -0.080
local terms energy: -75.928538
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -16.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -192.052624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.052624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.052624 (E_RNA)
where:
Base-Base interactions energy: -116.568
where: short stacking energy: -57.817
Base-Backbone interact. energy: -0.239
local terms energy: -75.245603
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -20.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -177.542066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.542066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.542066 (E_RNA)
where:
Base-Base interactions energy: -106.307
where: short stacking energy: -51.828
Base-Backbone interact. energy: -0.021
local terms energy: -71.213974
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -13.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -168.360925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.360925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.360925 (E_RNA)
where:
Base-Base interactions energy: -104.269
where: short stacking energy: -47.887
Base-Backbone interact. energy: -0.035
local terms energy: -64.057265
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -9.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -124.805678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.805678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.805678 (E_RNA)
where:
Base-Base interactions energy: -60.771
where: short stacking energy: -39.470
Base-Backbone interact. energy: -0.630
local terms energy: -63.404815
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -11.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -90.196203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.196203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.196203 (E_RNA)
where:
Base-Base interactions energy: -40.808
where: short stacking energy: -29.472
Base-Backbone interact. energy: -0.013
local terms energy: -49.375374
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -12.518
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -6.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -91.851294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.851294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.851294 (E_RNA)
where:
Base-Base interactions energy: -44.918
where: short stacking energy: -36.177
Base-Backbone interact. energy: -0.933
local terms energy: -46.000501
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -4.317
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -79.903060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.903060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.903060 (E_RNA)
where:
Base-Base interactions energy: -37.172
where: short stacking energy: -28.467
Base-Backbone interact. energy: -1.532
local terms energy: -41.198658
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -11.024
flat angles P-C4'-P energy: -3.012
tors. eta vs tors. theta energy: 0.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -78.215236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.215236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.215236 (E_RNA)
where:
Base-Base interactions energy: -28.004
where: short stacking energy: -24.186
Base-Backbone interact. energy: -0.036
local terms energy: -50.175152
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -7.212
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -2.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -212.971569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.971569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.971569 (E_RNA)
where:
Base-Base interactions energy: -137.463
where: short stacking energy: -66.397
Base-Backbone interact. energy: -0.005
local terms energy: -75.503854
where:
bonds (distance) C4'-P energy: -13.887
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -19.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -188.924822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.924822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.924822 (E_RNA)
where:
Base-Base interactions energy: -118.371
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.490
local terms energy: -70.063523
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -183.393294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.393294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.393294 (E_RNA)
where:
Base-Base interactions energy: -112.185
where: short stacking energy: -56.220
Base-Backbone interact. energy: -0.030
local terms energy: -71.177742
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -17.281
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: 2
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -178.201888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.201888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.201888 (E_RNA)
where:
Base-Base interactions energy: -113.967
where: short stacking energy: -51.330
Base-Backbone interact. energy: -0.900
local terms energy: -63.334359
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -7.830
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -15.750
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: 467
Temperature: 1.100000
Total energy: -171.977737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.977737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.977737 (E_RNA)
where:
Base-Base interactions energy: -105.179
where: short stacking energy: -45.960
Base-Backbone interact. energy: -0.130
local terms energy: -66.669003
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -10.906
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: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -110.088824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.088824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.088824 (E_RNA)
where:
Base-Base interactions energy: -47.332
where: short stacking energy: -43.456
Base-Backbone interact. energy: -0.150
local terms energy: -62.606927
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -87.042785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.042785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.042785 (E_RNA)
where:
Base-Base interactions energy: -30.862
where: short stacking energy: -29.821
Base-Backbone interact. energy: -0.491
local terms energy: -55.689422
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -7.360
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: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -80.839321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.839321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.839321 (E_RNA)
where:
Base-Base interactions energy: -25.052
where: short stacking energy: -23.017
Base-Backbone interact. energy: -0.363
local terms energy: -55.423778
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -87.290817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.290817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.290817 (E_RNA)
where:
Base-Base interactions energy: -36.587
where: short stacking energy: -18.541
Base-Backbone interact. energy: -0.274
local terms energy: -50.429818
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -1.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -67.826658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.826658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.826658 (E_RNA)
where:
Base-Base interactions energy: -23.592
where: short stacking energy: -22.077
Base-Backbone interact. energy: -0.153
local terms energy: -44.081631
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -11.433
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -8.347
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: 1, replica: 5
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -209.361666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.361666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.361666 (E_RNA)
where:
Base-Base interactions energy: -142.524
where: short stacking energy: -68.669
Base-Backbone interact. energy: -0.110
local terms energy: -66.727535
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -11.018
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -200.761984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.761984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.761984 (E_RNA)
where:
Base-Base interactions energy: -127.379
where: short stacking energy: -58.338
Base-Backbone interact. energy: -0.331
local terms energy: -73.051847
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -11.169
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -198.186613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.186613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.186613 (E_RNA)
where:
Base-Base interactions energy: -131.206
where: short stacking energy: -57.934
Base-Backbone interact. energy: -0.049
local terms energy: -66.931540
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -173.552830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.552830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.552830 (E_RNA)
where:
Base-Base interactions energy: -104.141
where: short stacking energy: -53.510
Base-Backbone interact. energy: -0.016
local terms energy: -69.395623
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -5.994
tors. eta vs tors. theta energy: -17.506
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: 10
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -166.436721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.436721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.436721 (E_RNA)
where:
Base-Base interactions energy: -99.160
where: short stacking energy: -46.713
Base-Backbone interact. energy: -0.521
local terms energy: -66.755971
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -14.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -95.678714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.678714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.678714 (E_RNA)
where:
Base-Base interactions energy: -48.826
where: short stacking energy: -29.002
Base-Backbone interact. energy: -0.238
local terms energy: -46.614419
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -9.325
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -4.111
tors. eta vs tors. theta energy: -1.219
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: 9
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -91.451412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.451412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.451412 (E_RNA)
where:
Base-Base interactions energy: -36.015
where: short stacking energy: -33.203
Base-Backbone interact. energy: -0.193
local terms energy: -55.243024
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: 1.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -81.634346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.634346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.634346 (E_RNA)
where:
Base-Base interactions energy: -29.185
where: short stacking energy: -29.185
Base-Backbone interact. energy: -0.281
local terms energy: -52.168301
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -9.513
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: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -82.863317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.863317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.863317 (E_RNA)
where:
Base-Base interactions energy: -34.973
where: short stacking energy: -34.973
Base-Backbone interact. energy: 2.030
local terms energy: -49.920182
where:
bonds (distance) C4'-P energy: -6.961
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -7.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -80.984866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.984866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.984866 (E_RNA)
where:
Base-Base interactions energy: -27.739
where: short stacking energy: -27.739
Base-Backbone interact. energy: -0.017
local terms energy: -53.229057
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -4.397
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: 1, replica: 5
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -204.806475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.806475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.806475 (E_RNA)
where:
Base-Base interactions energy: -128.228
where: short stacking energy: -64.474
Base-Backbone interact. energy: -0.025
local terms energy: -76.553493
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -20.208
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: 3
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -202.794201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.794201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.794201 (E_RNA)
where:
Base-Base interactions energy: -126.665
where: short stacking energy: -62.629
Base-Backbone interact. energy: -0.445
local terms energy: -75.684171
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -11.184
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: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -206.496250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.496250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.496250 (E_RNA)
where:
Base-Base interactions energy: -138.532
where: short stacking energy: -61.642
Base-Backbone interact. energy: -0.019
local terms energy: -67.945171
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -183.718455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.718455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.718455 (E_RNA)
where:
Base-Base interactions energy: -112.628
where: short stacking energy: -54.369
Base-Backbone interact. energy: -0.609
local terms energy: -70.480749
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -18.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -167.252255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.252255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.252255 (E_RNA)
where:
Base-Base interactions energy: -98.561
where: short stacking energy: -50.372
Base-Backbone interact. energy: -0.264
local terms energy: -68.427980
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -13.152
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -11.631
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: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -116.627650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.627650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.627650 (E_RNA)
where:
Base-Base interactions energy: -61.306
where: short stacking energy: -40.756
Base-Backbone interact. energy: -0.003
local terms energy: -55.318813
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -7.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -95.300753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.300753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.300753 (E_RNA)
where:
Base-Base interactions energy: -43.135
where: short stacking energy: -40.641
Base-Backbone interact. energy: -0.072
local terms energy: -52.093704
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -9.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -87.173776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.173776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.173776 (E_RNA)
where:
Base-Base interactions energy: -34.907
where: short stacking energy: -34.907
Base-Backbone interact. energy: -0.006
local terms energy: -52.261068
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -2.551
tors. eta vs tors. theta energy: -5.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -71.593100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.593100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.593100 (E_RNA)
where:
Base-Base interactions energy: -18.277
where: short stacking energy: -15.415
Base-Backbone interact. energy: -0.118
local terms energy: -53.197972
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -68.896127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.896127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.896127 (E_RNA)
where:
Base-Base interactions energy: -28.177
where: short stacking energy: -19.574
Base-Backbone interact. energy: -0.035
local terms energy: -40.683982
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -8.347
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -0.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -200.009370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.009370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.009370 (E_RNA)
where:
Base-Base interactions energy: -132.451
where: short stacking energy: -55.001
Base-Backbone interact. energy: -0.335
local terms energy: -67.222755
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -9.274
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: 2, replica: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -187.280480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.280480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.280480 (E_RNA)
where:
Base-Base interactions energy: -117.324
where: short stacking energy: -54.540
Base-Backbone interact. energy: -0.077
local terms energy: -69.879874
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -11.482
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: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -193.859323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.859323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.859323 (E_RNA)
where:
Base-Base interactions energy: -121.081
where: short stacking energy: -56.035
Base-Backbone interact. energy: -0.818
local terms energy: -71.960650
where:
bonds (distance) C4'-P energy: -14.144
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -11.371
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: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -173.700360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.700360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.700360 (E_RNA)
where:
Base-Base interactions energy: -106.365
where: short stacking energy: -51.648
Base-Backbone interact. energy: -0.024
local terms energy: -67.311218
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -14.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -165.293890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.293890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.293890 (E_RNA)
where:
Base-Base interactions energy: -110.048
where: short stacking energy: -48.129
Base-Backbone interact. energy: -0.150
local terms energy: -55.095163
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -8.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -102.703433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.703433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.703433 (E_RNA)
where:
Base-Base interactions energy: -42.186
where: short stacking energy: -39.263
Base-Backbone interact. energy: -0.096
local terms energy: -60.421323
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -92.428457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.428457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.428457 (E_RNA)
where:
Base-Base interactions energy: -34.386
where: short stacking energy: -32.848
Base-Backbone interact. energy: 3.874
local terms energy: -61.916896
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -10.892
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: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -97.121313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.121313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.121313 (E_RNA)
where:
Base-Base interactions energy: -51.027
where: short stacking energy: -24.695
Base-Backbone interact. energy: -0.712
local terms energy: -45.382540
where:
bonds (distance) C4'-P energy: -11.959
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -6.970
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -6.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -82.734593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.734593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.734593 (E_RNA)
where:
Base-Base interactions energy: -33.543
where: short stacking energy: -23.805
Base-Backbone interact. energy: -0.885
local terms energy: -48.307289
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -73.311376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.311376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.311376 (E_RNA)
where:
Base-Base interactions energy: -27.330
where: short stacking energy: -17.607
Base-Backbone interact. energy: -0.425
local terms energy: -45.556938
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -194.900142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.900142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.900142 (E_RNA)
where:
Base-Base interactions energy: -120.463
where: short stacking energy: -60.788
Base-Backbone interact. energy: -0.003
local terms energy: -74.433657
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -18.237
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: 471
Temperature: 0.950000
Total energy: -195.942600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.942600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.942600 (E_RNA)
where:
Base-Base interactions energy: -126.094
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.007
local terms energy: -69.842308
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -5.683
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: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -201.843105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.843105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.843105 (E_RNA)
where:
Base-Base interactions energy: -130.199
where: short stacking energy: -58.379
Base-Backbone interact. energy: -0.369
local terms energy: -71.275389
where:
bonds (distance) C4'-P energy: -8.678
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -15.380
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: 10
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -182.849399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.849399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.849399 (E_RNA)
where:
Base-Base interactions energy: -114.081
where: short stacking energy: -54.605
Base-Backbone interact. energy: -0.001
local terms energy: -68.766919
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -18.494
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: 471
Temperature: 1.100000
Total energy: -167.060657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.060657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.060657 (E_RNA)
where:
Base-Base interactions energy: -99.098
where: short stacking energy: -56.093
Base-Backbone interact. energy: -0.013
local terms energy: -67.949636
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -106.274552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.274552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.274552 (E_RNA)
where:
Base-Base interactions energy: -42.038
where: short stacking energy: -42.038
Base-Backbone interact. energy: -0.052
local terms energy: -64.183769
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -10.281
tors. eta vs tors. theta energy: -11.836
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: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -91.414130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.414130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.414130 (E_RNA)
where:
Base-Base interactions energy: -35.397
where: short stacking energy: -33.686
Base-Backbone interact. energy: -0.084
local terms energy: -55.933421
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -6.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -83.394991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.394991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.394991 (E_RNA)
where:
Base-Base interactions energy: -31.557
where: short stacking energy: -31.557
Base-Backbone interact. energy: -0.163
local terms energy: -51.675441
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -8.427
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -80.526427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.526427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.526427 (E_RNA)
where:
Base-Base interactions energy: -37.172
where: short stacking energy: -32.942
Base-Backbone interact. energy: -0.518
local terms energy: -42.835671
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -8.748
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -75.438073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.438073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.438073 (E_RNA)
where:
Base-Base interactions energy: -22.757
where: short stacking energy: -22.210
Base-Backbone interact. energy: -0.171
local terms energy: -52.510667
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -7.033
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: 472
Temperature: 0.900000
Total energy: -209.809523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.809523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.809523 (E_RNA)
where:
Base-Base interactions energy: -134.389
where: short stacking energy: -63.842
Base-Backbone interact. energy: -0.169
local terms energy: -75.251881
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -206.160549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.160549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.160549 (E_RNA)
where:
Base-Base interactions energy: -127.365
where: short stacking energy: -62.337
Base-Backbone interact. energy: -0.001
local terms energy: -78.794031
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -18.649
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: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -186.752219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.752219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.752219 (E_RNA)
where:
Base-Base interactions energy: -121.990
where: short stacking energy: -56.010
Base-Backbone interact. energy: -0.202
local terms energy: -64.559321
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -11.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -185.177281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.177281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.177281 (E_RNA)
where:
Base-Base interactions energy: -119.677
where: short stacking energy: -60.975
Base-Backbone interact. energy: -0.205
local terms energy: -65.295835
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -16.047
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: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -172.525158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.525158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.525158 (E_RNA)
where:
Base-Base interactions energy: -114.685
where: short stacking energy: -53.343
Base-Backbone interact. energy: -0.156
local terms energy: -57.683919
where:
bonds (distance) C4'-P energy: -7.620
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -9.220
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: 6, replica: 7
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -93.310172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.310172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.310172 (E_RNA)
where:
Base-Base interactions energy: -33.344
where: short stacking energy: -32.188
Base-Backbone interact. energy: -0.281
local terms energy: -59.685340
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -6.301
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: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -114.772250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.772250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.772250 (E_RNA)
where:
Base-Base interactions energy: -67.648
where: short stacking energy: -41.614
Base-Backbone interact. energy: -0.015
local terms energy: -47.108468
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -3.879
tors. eta vs tors. theta energy: -3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -83.273920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.273920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.273920 (E_RNA)
where:
Base-Base interactions energy: -37.708
where: short stacking energy: -25.473
Base-Backbone interact. energy: 0.393
local terms energy: -45.959168
where:
bonds (distance) C4'-P energy: -8.414
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -75.087208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.087208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.087208 (E_RNA)
where:
Base-Base interactions energy: -25.239
where: short stacking energy: -25.239
Base-Backbone interact. energy: -0.113
local terms energy: -49.735436
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -10.195
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -69.329780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.329780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.329780 (E_RNA)
where:
Base-Base interactions energy: -21.687
where: short stacking energy: -21.543
Base-Backbone interact. energy: -0.515
local terms energy: -47.127652
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -4.897
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: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -209.868470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.868470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.868470 (E_RNA)
where:
Base-Base interactions energy: -133.709
where: short stacking energy: -58.954
Base-Backbone interact. energy: -0.001
local terms energy: -76.158158
where:
bonds (distance) C4'-P energy: -15.029
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -195.445803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.445803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.445803 (E_RNA)
where:
Base-Base interactions energy: -118.635
where: short stacking energy: -59.798
Base-Backbone interact. energy: -0.626
local terms energy: -76.184785
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -10.881
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: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -188.925987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.925987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.925987 (E_RNA)
where:
Base-Base interactions energy: -115.773
where: short stacking energy: -63.127
Base-Backbone interact. energy: -0.051
local terms energy: -73.101478
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -9.421
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -192.559846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.559846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.559846 (E_RNA)
where:
Base-Base interactions energy: -119.446
where: short stacking energy: -61.011
Base-Backbone interact. energy: -0.002
local terms energy: -73.111230
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -177.344623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.344623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.344623 (E_RNA)
where:
Base-Base interactions energy: -113.072
where: short stacking energy: -53.595
Base-Backbone interact. energy: 1.035
local terms energy: -65.307738
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -14.096
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: 7
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -87.099040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.099040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.099040 (E_RNA)
where:
Base-Base interactions energy: -30.605
where: short stacking energy: -29.893
Base-Backbone interact. energy: -0.114
local terms energy: -56.379356
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -82.287074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.287074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.287074 (E_RNA)
where:
Base-Base interactions energy: -27.258
where: short stacking energy: -27.258
Base-Backbone interact. energy: 0.851
local terms energy: -55.879813
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: 0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -82.397921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.397921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.397921 (E_RNA)
where:
Base-Base interactions energy: -27.657
where: short stacking energy: -27.657
Base-Backbone interact. energy: -0.175
local terms energy: -54.565941
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -9.002
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -74.142977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.142977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.142977 (E_RNA)
where:
Base-Base interactions energy: -22.568
where: short stacking energy: -22.568
Base-Backbone interact. energy: -0.196
local terms energy: -51.379024
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: 1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -73.838530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.838530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.838530 (E_RNA)
where:
Base-Base interactions energy: -35.672
where: short stacking energy: -30.616
Base-Backbone interact. energy: -0.593
local terms energy: -37.573535
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: 0.388
tors. eta vs tors. theta energy: -3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -215.065090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.065090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.065090 (E_RNA)
where:
Base-Base interactions energy: -143.209
where: short stacking energy: -61.371
Base-Backbone interact. energy: -0.047
local terms energy: -71.808613
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -215.551682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.551682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.551682 (E_RNA)
where:
Base-Base interactions energy: -141.581
where: short stacking energy: -69.205
Base-Backbone interact. energy: -0.002
local terms energy: -73.969301
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -16.685
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: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -203.396775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.396775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.396775 (E_RNA)
where:
Base-Base interactions energy: -121.203
where: short stacking energy: -63.978
Base-Backbone interact. energy: -0.160
local terms energy: -82.034243
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -182.738136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.738136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.738136 (E_RNA)
where:
Base-Base interactions energy: -114.488
where: short stacking energy: -52.675
Base-Backbone interact. energy: -0.050
local terms energy: -68.200364
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -9.872
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -197.194486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.194486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.194486 (E_RNA)
where:
Base-Base interactions energy: -131.689
where: short stacking energy: -53.875
Base-Backbone interact. energy: -0.035
local terms energy: -65.470520
where:
bonds (distance) C4'-P energy: -11.266
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -11.443
flat angles P-C4'-P energy: -11.331
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: 6, replica: 7
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -94.727131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.727131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.727131 (E_RNA)
where:
Base-Base interactions energy: -37.352
where: short stacking energy: -30.415
Base-Backbone interact. energy: -0.141
local terms energy: -57.234351
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -9.952
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: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -98.240653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.240653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.240653 (E_RNA)
where:
Base-Base interactions energy: -38.438
where: short stacking energy: -33.936
Base-Backbone interact. energy: -0.042
local terms energy: -59.761357
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -9.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -87.580494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.580494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.580494 (E_RNA)
where:
Base-Base interactions energy: -34.885
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.010
local terms energy: -52.685015
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -8.163
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -73.274668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.274668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.274668 (E_RNA)
where:
Base-Base interactions energy: -33.419
where: short stacking energy: -11.919
Base-Backbone interact. energy: -0.887
local terms energy: -38.969076
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -12.664
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: 7.447
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: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -74.664620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.664620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.664620 (E_RNA)
where:
Base-Base interactions energy: -20.832
where: short stacking energy: -20.490
Base-Backbone interact. energy: -0.123
local terms energy: -53.710054
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -200.017761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.017761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.017761 (E_RNA)
where:
Base-Base interactions energy: -128.797
where: short stacking energy: -60.816
Base-Backbone interact. energy: 0.468
local terms energy: -71.688689
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -17.870
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: 3
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -201.420846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.420846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.420846 (E_RNA)
where:
Base-Base interactions energy: -132.732
where: short stacking energy: -65.952
Base-Backbone interact. energy: -0.004
local terms energy: -68.684771
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -192.139839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.139839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.139839 (E_RNA)
where:
Base-Base interactions energy: -119.200
where: short stacking energy: -57.167
Base-Backbone interact. energy: 0.290
local terms energy: -73.229631
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -185.676996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.676996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.676996 (E_RNA)
where:
Base-Base interactions energy: -125.490
where: short stacking energy: -65.611
Base-Backbone interact. energy: -0.230
local terms energy: -59.956419
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -9.549
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: 5, replica: 4
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -188.991601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.991601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.991601 (E_RNA)
where:
Base-Base interactions energy: -121.873
where: short stacking energy: -64.155
Base-Backbone interact. energy: -0.009
local terms energy: -67.110010
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: -19.734
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: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -107.007806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.007806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.007806 (E_RNA)
where:
Base-Base interactions energy: -47.488
where: short stacking energy: -42.924
Base-Backbone interact. energy: -0.028
local terms energy: -59.491541
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -15.317
flat angles P-C4'-P energy: -8.502
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: 7, replica: 7
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -87.828231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.828231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.828231 (E_RNA)
where:
Base-Base interactions energy: -31.525
where: short stacking energy: -31.245
Base-Backbone interact. energy: -0.149
local terms energy: -56.154567
where:
bonds (distance) C4'-P energy: -10.895
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -80.020018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.020018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.020018 (E_RNA)
where:
Base-Base interactions energy: -26.923
where: short stacking energy: -21.353
Base-Backbone interact. energy: 0.932
local terms energy: -54.028827
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: 1.021
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: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -78.483125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.483125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.483125 (E_RNA)
where:
Base-Base interactions energy: -24.470
where: short stacking energy: -23.408
Base-Backbone interact. energy: -0.144
local terms energy: -53.869692
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -6.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -85.255458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.255458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.255458 (E_RNA)
where:
Base-Base interactions energy: -31.825
where: short stacking energy: -29.132
Base-Backbone interact. energy: -0.063
local terms energy: -53.368326
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -197.288693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.288693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.288693 (E_RNA)
where:
Base-Base interactions energy: -129.804
where: short stacking energy: -64.623
Base-Backbone interact. energy: -0.019
local terms energy: -67.465296
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -15.997
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: 476
Temperature: 0.950000
Total energy: -190.939790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.939790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.939790 (E_RNA)
where:
Base-Base interactions energy: -124.372
where: short stacking energy: -51.729
Base-Backbone interact. energy: -1.264
local terms energy: -65.304414
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -12.195
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: 476
Temperature: 1.000000
Total energy: -189.028624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.028624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.028624 (E_RNA)
where:
Base-Base interactions energy: -119.203
where: short stacking energy: -58.443
Base-Backbone interact. energy: -0.135
local terms energy: -69.690934
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -14.647
flat angles C4'-P-C4' energy: -16.314
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -175.000728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.000728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.000728 (E_RNA)
where:
Base-Base interactions energy: -105.055
where: short stacking energy: -44.528
Base-Backbone interact. energy: -0.193
local terms energy: -69.752414
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -12.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -175.128322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.128322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.128322 (E_RNA)
where:
Base-Base interactions energy: -109.072
where: short stacking energy: -52.949
Base-Backbone interact. energy: 0.265
local terms energy: -66.320918
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -14.838
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: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -93.516795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.516795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.516795 (E_RNA)
where:
Base-Base interactions energy: -37.480
where: short stacking energy: -35.750
Base-Backbone interact. energy: -0.149
local terms energy: -55.887747
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -4.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -87.412485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.412485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.412485 (E_RNA)
where:
Base-Base interactions energy: -37.034
where: short stacking energy: -30.420
Base-Backbone interact. energy: -0.248
local terms energy: -50.130652
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -99.834488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.834488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.834488 (E_RNA)
where:
Base-Base interactions energy: -49.980
where: short stacking energy: -25.483
Base-Backbone interact. energy: -0.167
local terms energy: -49.687671
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -83.445482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.445482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.445482 (E_RNA)
where:
Base-Base interactions energy: -31.731
where: short stacking energy: -29.992
Base-Backbone interact. energy: -0.074
local terms energy: -51.639766
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -0.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -79.539352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.539352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.539352 (E_RNA)
where:
Base-Base interactions energy: -30.318
where: short stacking energy: -26.048
Base-Backbone interact. energy: -0.046
local terms energy: -49.175474
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -1.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -207.625844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.625844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.625844 (E_RNA)
where:
Base-Base interactions energy: -134.208
where: short stacking energy: -63.932
Base-Backbone interact. energy: -0.001
local terms energy: -73.416322
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -183.084092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.084092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.084092 (E_RNA)
where:
Base-Base interactions energy: -104.778
where: short stacking energy: -53.476
Base-Backbone interact. energy: -0.218
local terms energy: -78.088296
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -19.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -199.165555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.165555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.165555 (E_RNA)
where:
Base-Base interactions energy: -120.331
where: short stacking energy: -68.247
Base-Backbone interact. energy: -0.001
local terms energy: -78.832814
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -11.223
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: 4, replica: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -178.253203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.253203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.253203 (E_RNA)
where:
Base-Base interactions energy: -104.458
where: short stacking energy: -51.619
Base-Backbone interact. energy: -0.005
local terms energy: -73.790719
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -13.677
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: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -159.659160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.659160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.659160 (E_RNA)
where:
Base-Base interactions energy: -98.663
where: short stacking energy: -43.776
Base-Backbone interact. energy: -0.107
local terms energy: -60.889137
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -9.875
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: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -101.452720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.452720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.452720 (E_RNA)
where:
Base-Base interactions energy: -52.805
where: short stacking energy: -32.247
Base-Backbone interact. energy: -0.034
local terms energy: -48.613489
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -7.665
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -1.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -85.347650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.347650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.347650 (E_RNA)
where:
Base-Base interactions energy: -30.175
where: short stacking energy: -23.547
Base-Backbone interact. energy: -0.180
local terms energy: -54.992426
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -17.159
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -86.812212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.812212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.812212 (E_RNA)
where:
Base-Base interactions energy: -35.768
where: short stacking energy: -29.637
Base-Backbone interact. energy: -0.107
local terms energy: -50.936522
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -6.014
tors. eta vs tors. theta energy: -6.379
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: 8
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -81.175133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.175133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.175133 (E_RNA)
where:
Base-Base interactions energy: -31.842
where: short stacking energy: -27.296
Base-Backbone interact. energy: -0.339
local terms energy: -48.993588
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -8.258
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -69.595451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.595451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.595451 (E_RNA)
where:
Base-Base interactions energy: -24.606
where: short stacking energy: -26.606
Base-Backbone interact. energy: -0.339
local terms energy: -44.650769
where:
bonds (distance) C4'-P energy: -8.352
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -5.505
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: 478
Temperature: 0.900000
Total energy: -192.856996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.856996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.856996 (E_RNA)
where:
Base-Base interactions energy: -125.985
where: short stacking energy: -61.373
Base-Backbone interact. energy: -0.101
local terms energy: -66.770919
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -191.698061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.698061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.698061 (E_RNA)
where:
Base-Base interactions energy: -124.336
where: short stacking energy: -53.343
Base-Backbone interact. energy: -0.251
local terms energy: -67.111244
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -198.415709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.415709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.415709 (E_RNA)
where:
Base-Base interactions energy: -129.037
where: short stacking energy: -60.442
Base-Backbone interact. energy: -0.061
local terms energy: -69.317758
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -15.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -173.466063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.466063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.466063 (E_RNA)
where:
Base-Base interactions energy: -101.459
where: short stacking energy: -49.326
Base-Backbone interact. energy: -0.208
local terms energy: -71.799025
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -14.469
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: 5
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -165.492037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.492037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.492037 (E_RNA)
where:
Base-Base interactions energy: -101.013
where: short stacking energy: -52.547
Base-Backbone interact. energy: 0.025
local terms energy: -64.504780
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -8.228
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: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -92.198709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.198709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.198709 (E_RNA)
where:
Base-Base interactions energy: -39.478
where: short stacking energy: -19.301
Base-Backbone interact. energy: -0.316
local terms energy: -52.404689
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -6.398
flat angles P-C4'-P energy: -11.802
tors. eta vs tors. theta energy: -1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -86.483370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.483370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.483370 (E_RNA)
where:
Base-Base interactions energy: -33.883
where: short stacking energy: -19.707
Base-Backbone interact. energy: -0.246
local terms energy: -52.353655
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: -6.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -88.416692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.416692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.416692 (E_RNA)
where:
Base-Base interactions energy: -26.952
where: short stacking energy: -26.952
Base-Backbone interact. energy: 1.903
local terms energy: -63.367738
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -82.505241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.505241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.505241 (E_RNA)
where:
Base-Base interactions energy: -31.889
where: short stacking energy: -28.038
Base-Backbone interact. energy: -0.030
local terms energy: -50.586076
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -5.068
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: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -70.834452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.834452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.834452 (E_RNA)
where:
Base-Base interactions energy: -23.640
where: short stacking energy: -23.373
Base-Backbone interact. energy: 0.286
local terms energy: -47.480258
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -4.225
tors. eta vs tors. theta energy: 0.457
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: 1, replica: 10
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -193.568361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.568361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.568361 (E_RNA)
where:
Base-Base interactions energy: -123.529
where: short stacking energy: -58.488
Base-Backbone interact. energy: -0.125
local terms energy: -69.913977
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -15.410
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: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -196.802102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.802102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.802102 (E_RNA)
where:
Base-Base interactions energy: -119.418
where: short stacking energy: -61.882
Base-Backbone interact. energy: -0.624
local terms energy: -76.760325
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -10.399
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: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -181.050211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.050211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.050211 (E_RNA)
where:
Base-Base interactions energy: -120.245
where: short stacking energy: -44.487
Base-Backbone interact. energy: -1.101
local terms energy: -59.704423
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -11.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -167.820226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.820226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.820226 (E_RNA)
where:
Base-Base interactions energy: -108.788
where: short stacking energy: -43.107
Base-Backbone interact. energy: -0.290
local terms energy: -58.742199
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -10.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -173.526755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.526755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.526755 (E_RNA)
where:
Base-Base interactions energy: -108.133
where: short stacking energy: -56.632
Base-Backbone interact. energy: -0.120
local terms energy: -65.273364
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -133.892299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.892299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.892299 (E_RNA)
where:
Base-Base interactions energy: -74.574
where: short stacking energy: -42.545
Base-Backbone interact. energy: -0.840
local terms energy: -58.478593
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -12.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -82.099868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.099868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.099868 (E_RNA)
where:
Base-Base interactions energy: -31.085
where: short stacking energy: -26.607
Base-Backbone interact. energy: -0.345
local terms energy: -50.670186
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -10.841
flat angles P-C4'-P energy: -3.372
tors. eta vs tors. theta energy: -6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -87.966239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.966239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.966239 (E_RNA)
where:
Base-Base interactions energy: -41.076
where: short stacking energy: -21.969
Base-Backbone interact. energy: -0.220
local terms energy: -46.669893
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -6.931
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -1.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -75.658161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.658161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.658161 (E_RNA)
where:
Base-Base interactions energy: -29.866
where: short stacking energy: -29.223
Base-Backbone interact. energy: -0.131
local terms energy: -45.661642
where:
bonds (distance) C4'-P energy: -8.982
bonds (distance) P-C4' energy: -14.753
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -8.275
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: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -71.595012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.595012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.595012 (E_RNA)
where:
Base-Base interactions energy: -24.351
where: short stacking energy: -24.351
Base-Backbone interact. energy: -0.010
local terms energy: -47.234011
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -13.230
flat angles P-C4'-P energy: -3.630
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -201.580996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.580996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.580996 (E_RNA)
where:
Base-Base interactions energy: -123.920
where: short stacking energy: -58.654
Base-Backbone interact. energy: -1.077
local terms energy: -76.584012
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -17.277
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: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -177.608515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.608515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.608515 (E_RNA)
where:
Base-Base interactions energy: -110.314
where: short stacking energy: -56.073
Base-Backbone interact. energy: -0.113
local terms energy: -67.181074
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -13.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -195.675386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.675386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.675386 (E_RNA)
where:
Base-Base interactions energy: -127.452
where: short stacking energy: -53.035
Base-Backbone interact. energy: -0.280
local terms energy: -67.943238
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -15.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -191.544350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.544350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.544350 (E_RNA)
where:
Base-Base interactions energy: -125.012
where: short stacking energy: -53.876
Base-Backbone interact. energy: -0.029
local terms energy: -66.504094
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -12.147
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: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -143.110248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.110248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.110248 (E_RNA)
where:
Base-Base interactions energy: -77.375
where: short stacking energy: -30.353
Base-Backbone interact. energy: 0.040
local terms energy: -65.775051
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -10.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -171.254281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.254281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.254281 (E_RNA)
where:
Base-Base interactions energy: -114.276
where: short stacking energy: -50.692
Base-Backbone interact. energy: -0.643
local terms energy: -56.335348
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -10.105
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -5.110
tors. eta vs tors. theta energy: -14.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -103.026612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.026612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.026612 (E_RNA)
where:
Base-Base interactions energy: -39.630
where: short stacking energy: -37.635
Base-Backbone interact. energy: -0.108
local terms energy: -63.288622
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -9.135
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: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -111.936816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.936816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.936816 (E_RNA)
where:
Base-Base interactions energy: -48.432
where: short stacking energy: -30.789
Base-Backbone interact. energy: -0.065
local terms energy: -63.439680
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -9.519
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: 480
Temperature: 1.300000
Total energy: -91.848295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.848295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.848295 (E_RNA)
where:
Base-Base interactions energy: -35.785
where: short stacking energy: -35.785
Base-Backbone interact. energy: -0.029
local terms energy: -56.035140
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -5.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -78.958023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.958023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.958023 (E_RNA)
where:
Base-Base interactions energy: -33.337
where: short stacking energy: -25.448
Base-Backbone interact. energy: -0.142
local terms energy: -45.478502
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: 2.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -195.840827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.840827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.840827 (E_RNA)
where:
Base-Base interactions energy: -121.688
where: short stacking energy: -55.894
Base-Backbone interact. energy: -1.017
local terms energy: -73.135468
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -196.536566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.536566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.536566 (E_RNA)
where:
Base-Base interactions energy: -125.803
where: short stacking energy: -70.151
Base-Backbone interact. energy: -0.220
local terms energy: -70.513474
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -20.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -179.798325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.798325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.798325 (E_RNA)
where:
Base-Base interactions energy: -110.555
where: short stacking energy: -53.870
Base-Backbone interact. energy: -0.789
local terms energy: -68.454329
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -11.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -192.666329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.666329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.666329 (E_RNA)
where:
Base-Base interactions energy: -119.271
where: short stacking energy: -60.740
Base-Backbone interact. energy: -0.001
local terms energy: -73.393809
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -11.459
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: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -105.607070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.607070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.607070 (E_RNA)
where:
Base-Base interactions energy: -47.013
where: short stacking energy: -27.165
Base-Backbone interact. energy: -0.200
local terms energy: -58.395010
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -4.951
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: 4
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -179.580831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.580831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.580831 (E_RNA)
where:
Base-Base interactions energy: -114.638
where: short stacking energy: -53.701
Base-Backbone interact. energy: 1.556
local terms energy: -66.498141
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -11.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -90.571303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.571303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.571303 (E_RNA)
where:
Base-Base interactions energy: -36.457
where: short stacking energy: -32.165
Base-Backbone interact. energy: -0.131
local terms energy: -53.983852
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.653
flat angles C4'-P-C4' energy: -6.856
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -98.603497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.603497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.603497 (E_RNA)
where:
Base-Base interactions energy: -53.172
where: short stacking energy: -22.363
Base-Backbone interact. energy: -0.290
local terms energy: -45.141691
where:
bonds (distance) C4'-P energy: -8.336
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -4.370
tors. eta vs tors. theta energy: -1.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -89.064979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.064979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.064979 (E_RNA)
where:
Base-Base interactions energy: -39.750
where: short stacking energy: -26.936
Base-Backbone interact. energy: -0.208
local terms energy: -49.106770
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -9.307
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -4.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -76.539873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.539873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.539873 (E_RNA)
where:
Base-Base interactions energy: -27.665
where: short stacking energy: -28.265
Base-Backbone interact. energy: -0.029
local terms energy: -48.846007
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -9.707
flat angles C4'-P-C4' energy: -5.702
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -8.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -199.417732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.417732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.417732 (E_RNA)
where:
Base-Base interactions energy: -130.872
where: short stacking energy: -52.730
Base-Backbone interact. energy: -0.713
local terms energy: -67.832949
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -11.205
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: 3
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -200.004907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.004907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.004907 (E_RNA)
where:
Base-Base interactions energy: -126.769
where: short stacking energy: -60.114
Base-Backbone interact. energy: -0.813
local terms energy: -72.423564
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -17.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -177.078755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.078755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.078755 (E_RNA)
where:
Base-Base interactions energy: -104.658
where: short stacking energy: -57.990
Base-Backbone interact. energy: -0.027
local terms energy: -72.394489
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -12.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -169.677989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.677989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.677989 (E_RNA)
where:
Base-Base interactions energy: -103.735
where: short stacking energy: -47.194
Base-Backbone interact. energy: -0.060
local terms energy: -65.883527
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -9.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -181.229457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.229457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.229457 (E_RNA)
where:
Base-Base interactions energy: -110.511
where: short stacking energy: -57.733
Base-Backbone interact. energy: -0.641
local terms energy: -70.077195
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -19.711
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: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -127.377547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.377547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.377547 (E_RNA)
where:
Base-Base interactions energy: -68.761
where: short stacking energy: -40.439
Base-Backbone interact. energy: -1.201
local terms energy: -57.415836
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -91.821833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.821833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.821833 (E_RNA)
where:
Base-Base interactions energy: -38.186
where: short stacking energy: -36.512
Base-Backbone interact. energy: -0.009
local terms energy: -53.626559
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -11.138
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -5.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -85.759713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.759713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.759713 (E_RNA)
where:
Base-Base interactions energy: -23.865
where: short stacking energy: -23.865
Base-Backbone interact. energy: -0.330
local terms energy: -61.564504
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -12.360
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: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -83.952806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.952806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.952806 (E_RNA)
where:
Base-Base interactions energy: -39.426
where: short stacking energy: -20.437
Base-Backbone interact. energy: -0.399
local terms energy: -44.127218
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -5.061
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -73.775674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.775674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.775674 (E_RNA)
where:
Base-Base interactions energy: -25.750
where: short stacking energy: -20.886
Base-Backbone interact. energy: -0.304
local terms energy: -47.721657
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -5.899
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: 483
Temperature: 0.900000
Total energy: -189.254198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.254198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.254198 (E_RNA)
where:
Base-Base interactions energy: -116.700
where: short stacking energy: -59.991
Base-Backbone interact. energy: -0.075
local terms energy: -72.479738
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -15.402
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: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -206.004653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.004653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.004653 (E_RNA)
where:
Base-Base interactions energy: -136.464
where: short stacking energy: -58.208
Base-Backbone interact. energy: -0.433
local terms energy: -69.108058
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -18.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -184.202188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.202188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.202188 (E_RNA)
where:
Base-Base interactions energy: -115.546
where: short stacking energy: -65.817
Base-Backbone interact. energy: -0.794
local terms energy: -67.862052
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -8.714
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: 4, replica: 4
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -188.120651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.120651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.120651 (E_RNA)
where:
Base-Base interactions energy: -115.992
where: short stacking energy: -58.032
Base-Backbone interact. energy: -0.016
local terms energy: -72.113281
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -17.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -163.751286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.751286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.751286 (E_RNA)
where:
Base-Base interactions energy: -95.447
where: short stacking energy: -43.773
Base-Backbone interact. energy: -0.098
local terms energy: -68.206860
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -87.449990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.449990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.449990 (E_RNA)
where:
Base-Base interactions energy: -36.166
where: short stacking energy: -33.876
Base-Backbone interact. energy: -0.026
local terms energy: -51.258129
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -79.961239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.961239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.961239 (E_RNA)
where:
Base-Base interactions energy: -32.697
where: short stacking energy: -32.697
Base-Backbone interact. energy: 0.177
local terms energy: -47.441221
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -7.299
flat angles P-C4'-P energy: -7.559
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: 8, replica: 9
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -84.496541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.496541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.496541 (E_RNA)
where:
Base-Base interactions energy: -38.392
where: short stacking energy: -30.319
Base-Backbone interact. energy: 0.423
local terms energy: -46.527478
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -9.888
flat angles P-C4'-P energy: -6.891
tors. eta vs tors. theta energy: -3.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -75.239917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.239917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.239917 (E_RNA)
where:
Base-Base interactions energy: -26.698
where: short stacking energy: -26.596
Base-Backbone interact. energy: -0.094
local terms energy: -48.447331
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -5.519
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: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -75.877792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.877792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.877792 (E_RNA)
where:
Base-Base interactions energy: -27.631
where: short stacking energy: -16.533
Base-Backbone interact. energy: 0.066
local terms energy: -48.313141
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -6.425
flat angles P-C4'-P energy: -10.307
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: 3
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -205.002433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.002433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.002433 (E_RNA)
where:
Base-Base interactions energy: -131.187
where: short stacking energy: -58.177
Base-Backbone interact. energy: -0.175
local terms energy: -73.640240
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -195.746715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.746715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.746715 (E_RNA)
where:
Base-Base interactions energy: -115.146
where: short stacking energy: -59.443
Base-Backbone interact. energy: -1.334
local terms energy: -79.266508
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -17.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -199.154049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.154049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.154049 (E_RNA)
where:
Base-Base interactions energy: -129.443
where: short stacking energy: -54.003
Base-Backbone interact. energy: -0.158
local terms energy: -69.552832
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -179.929753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.929753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.929753 (E_RNA)
where:
Base-Base interactions energy: -113.571
where: short stacking energy: -52.245
Base-Backbone interact. energy: -0.343
local terms energy: -66.015745
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -11.458
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: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -177.760579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.760579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.760579 (E_RNA)
where:
Base-Base interactions energy: -108.647
where: short stacking energy: -57.973
Base-Backbone interact. energy: -0.001
local terms energy: -69.113420
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -9.525
flat angles P-C4'-P energy: -10.446
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: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -112.702832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.702832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.702832 (E_RNA)
where:
Base-Base interactions energy: -52.651
where: short stacking energy: -46.070
Base-Backbone interact. energy: -0.043
local terms energy: -60.008936
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -90.416444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.416444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.416444 (E_RNA)
where:
Base-Base interactions energy: -29.940
where: short stacking energy: -23.066
Base-Backbone interact. energy: -0.199
local terms energy: -60.277145
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -9.341
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -95.929898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.929898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.929898 (E_RNA)
where:
Base-Base interactions energy: -45.947
where: short stacking energy: -46.399
Base-Backbone interact. energy: -0.190
local terms energy: -49.793100
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -10.317
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -1.306
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -84.923779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.923779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.923779 (E_RNA)
where:
Base-Base interactions energy: -32.909
where: short stacking energy: -32.522
Base-Backbone interact. energy: -0.016
local terms energy: -51.998243
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -7.036
tors. eta vs tors. theta energy: -7.644
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: 8
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -71.926276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.926276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.926276 (E_RNA)
where:
Base-Base interactions energy: -32.262
where: short stacking energy: -32.262
Base-Backbone interact. energy: -0.037
local terms energy: -39.626740
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -0.930
tors. eta vs tors. theta energy: 0.397
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: 1, replica: 3
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -207.948138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.948138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.948138 (E_RNA)
where:
Base-Base interactions energy: -130.979
where: short stacking energy: -68.658
Base-Backbone interact. energy: -0.525
local terms energy: -76.444685
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -13.506
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: 2, replica: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -207.442982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.442982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.442982 (E_RNA)
where:
Base-Base interactions energy: -136.151
where: short stacking energy: -60.698
Base-Backbone interact. energy: -0.003
local terms energy: -71.288998
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -18.547
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: 485
Temperature: 1.000000
Total energy: -189.487761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.487761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.487761 (E_RNA)
where:
Base-Base interactions energy: -132.041
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.126
local terms energy: -57.320852
where:
bonds (distance) C4'-P energy: -6.772
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -173.953978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.953978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.953978 (E_RNA)
where:
Base-Base interactions energy: -108.645
where: short stacking energy: -49.711
Base-Backbone interact. energy: -0.482
local terms energy: -64.826217
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -13.154
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: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -182.833876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.833876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.833876 (E_RNA)
where:
Base-Base interactions energy: -117.015
where: short stacking energy: -52.299
Base-Backbone interact. energy: -0.673
local terms energy: -65.146609
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -13.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -99.982495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.982495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.982495 (E_RNA)
where:
Base-Base interactions energy: -44.956
where: short stacking energy: -32.459
Base-Backbone interact. energy: -0.080
local terms energy: -54.946084
where:
bonds (distance) C4'-P energy: -11.808
bonds (distance) P-C4' energy: -12.717
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -3.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -105.420496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.420496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.420496 (E_RNA)
where:
Base-Base interactions energy: -45.391
where: short stacking energy: -25.845
Base-Backbone interact. energy: -0.744
local terms energy: -59.285191
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -87.720956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.720956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.720956 (E_RNA)
where:
Base-Base interactions energy: -28.901
where: short stacking energy: -17.512
Base-Backbone interact. energy: -0.139
local terms energy: -58.680905
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -11.545
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -3.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -83.138233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.138233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.138233 (E_RNA)
where:
Base-Base interactions energy: -29.428
where: short stacking energy: -20.080
Base-Backbone interact. energy: -0.095
local terms energy: -53.615121
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -12.731
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -5.268
tors. eta vs tors. theta energy: -2.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -86.782108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.782108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.782108 (E_RNA)
where:
Base-Base interactions energy: -33.862
where: short stacking energy: -20.912
Base-Backbone interact. energy: -0.695
local terms energy: -52.225876
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -5.639
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: 486
Temperature: 0.900000
Total energy: -208.223299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.223299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.223299 (E_RNA)
where:
Base-Base interactions energy: -129.541
where: short stacking energy: -57.836
Base-Backbone interact. energy: -0.081
local terms energy: -78.600431
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -20.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -192.765657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.765657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.765657 (E_RNA)
where:
Base-Base interactions energy: -122.457
where: short stacking energy: -64.094
Base-Backbone interact. energy: -0.003
local terms energy: -70.305672
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -186.190891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.190891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.190891 (E_RNA)
where:
Base-Base interactions energy: -121.107
where: short stacking energy: -55.633
Base-Backbone interact. energy: -0.044
local terms energy: -65.039598
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -9.260
tors. eta vs tors. theta energy: -13.788
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: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -173.238712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.238712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.238712 (E_RNA)
where:
Base-Base interactions energy: -104.186
where: short stacking energy: -57.894
Base-Backbone interact. energy: -0.080
local terms energy: -68.972481
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -12.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -163.538448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.538448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.538448 (E_RNA)
where:
Base-Base interactions energy: -101.634
where: short stacking energy: -46.646
Base-Backbone interact. energy: -0.179
local terms energy: -61.724815
where:
bonds (distance) C4'-P energy: -10.035
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -10.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -96.203090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.203090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.203090 (E_RNA)
where:
Base-Base interactions energy: -39.791
where: short stacking energy: -39.791
Base-Backbone interact. energy: -0.015
local terms energy: -56.396615
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -11.966
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: 7, replica: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -85.853410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.853410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.853410 (E_RNA)
where:
Base-Base interactions energy: -32.017
where: short stacking energy: -27.873
Base-Backbone interact. energy: -0.170
local terms energy: -53.665783
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -81.343099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.343099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.343099 (E_RNA)
where:
Base-Base interactions energy: -35.908
where: short stacking energy: -32.713
Base-Backbone interact. energy: -0.110
local terms energy: -45.325554
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -9.619
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -5.552
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: 9, replica: 8
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -89.068076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.068076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.068076 (E_RNA)
where:
Base-Base interactions energy: -34.033
where: short stacking energy: -27.042
Base-Backbone interact. energy: -0.114
local terms energy: -54.921635
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -74.915994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.915994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.915994 (E_RNA)
where:
Base-Base interactions energy: -26.675
where: short stacking energy: -25.248
Base-Backbone interact. energy: -0.115
local terms energy: -48.126829
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -202.552581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.552581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.552581 (E_RNA)
where:
Base-Base interactions energy: -124.055
where: short stacking energy: -62.011
Base-Backbone interact. energy: -0.001
local terms energy: -78.496437
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -23.175
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: 487
Temperature: 0.950000
Total energy: -196.472221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.472221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.472221 (E_RNA)
where:
Base-Base interactions energy: -121.665
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.004
local terms energy: -74.803138
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -188.295647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.295647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.295647 (E_RNA)
where:
Base-Base interactions energy: -111.648
where: short stacking energy: -63.337
Base-Backbone interact. energy: -0.395
local terms energy: -76.253056
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -19.285
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: 5
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -182.334424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.334424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.334424 (E_RNA)
where:
Base-Base interactions energy: -113.789
where: short stacking energy: -56.876
Base-Backbone interact. energy: 1.055
local terms energy: -69.600246
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -10.963
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -178.937111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.937111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.937111 (E_RNA)
where:
Base-Base interactions energy: -114.916
where: short stacking energy: -54.354
Base-Backbone interact. energy: -0.793
local terms energy: -63.228651
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -12.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -92.677786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.677786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.677786 (E_RNA)
where:
Base-Base interactions energy: -39.018
where: short stacking energy: -34.771
Base-Backbone interact. energy: -0.093
local terms energy: -53.567057
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -11.414
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -8.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -91.724978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.724978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.724978 (E_RNA)
where:
Base-Base interactions energy: -34.123
where: short stacking energy: -25.422
Base-Backbone interact. energy: -0.240
local terms energy: -57.361803
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -10.752
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: 8, replica: 8
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -90.027868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.027868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.027868 (E_RNA)
where:
Base-Base interactions energy: -36.023
where: short stacking energy: -25.738
Base-Backbone interact. energy: -0.318
local terms energy: -53.686954
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -7.193
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: 9, replica: 1
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -83.674583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.674583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.674583 (E_RNA)
where:
Base-Base interactions energy: -42.353
where: short stacking energy: -16.314
Base-Backbone interact. energy: -0.619
local terms energy: -40.702814
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: 2.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -69.512431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.512431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.512431 (E_RNA)
where:
Base-Base interactions energy: -23.984
where: short stacking energy: -23.033
Base-Backbone interact. energy: -0.054
local terms energy: -45.474274
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -2.436
tors. eta vs tors. theta energy: -3.803
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: 488
Temperature: 0.900000
Total energy: -208.432008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.432008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.432008 (E_RNA)
where:
Base-Base interactions energy: -136.320
where: short stacking energy: -70.093
Base-Backbone interact. energy: -0.043
local terms energy: -72.069126
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -9.723
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: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -190.751050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.751050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.751050 (E_RNA)
where:
Base-Base interactions energy: -122.768
where: short stacking energy: -61.837
Base-Backbone interact. energy: -1.783
local terms energy: -66.200894
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -18.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -186.465255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.465255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.465255 (E_RNA)
where:
Base-Base interactions energy: -116.009
where: short stacking energy: -56.345
Base-Backbone interact. energy: -0.111
local terms energy: -70.345331
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -187.813530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.813530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.813530 (E_RNA)
where:
Base-Base interactions energy: -118.910
where: short stacking energy: -60.659
Base-Backbone interact. energy: -0.000
local terms energy: -68.903552
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -8.486
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: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -167.685494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.685494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.685494 (E_RNA)
where:
Base-Base interactions energy: -109.304
where: short stacking energy: -54.861
Base-Backbone interact. energy: -0.129
local terms energy: -58.251791
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -13.901
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: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -86.398102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.398102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.398102 (E_RNA)
where:
Base-Base interactions energy: -26.023
where: short stacking energy: -26.023
Base-Backbone interact. energy: 0.522
local terms energy: -60.897060
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -85.393019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.393019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.393019 (E_RNA)
where:
Base-Base interactions energy: -28.314
where: short stacking energy: -28.314
Base-Backbone interact. energy: -0.026
local terms energy: -57.052785
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -88.345012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.345012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.345012 (E_RNA)
where:
Base-Base interactions energy: -34.212
where: short stacking energy: -21.201
Base-Backbone interact. energy: -0.314
local terms energy: -53.818824
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -81.177167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.177167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.177167 (E_RNA)
where:
Base-Base interactions energy: -22.555
where: short stacking energy: -17.349
Base-Backbone interact. energy: -0.053
local terms energy: -58.569171
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -76.524906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.524906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.524906 (E_RNA)
where:
Base-Base interactions energy: -22.487
where: short stacking energy: -22.487
Base-Backbone interact. energy: -0.162
local terms energy: -53.875857
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -9.845
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -214.402579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.402579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.402579 (E_RNA)
where:
Base-Base interactions energy: -145.628
where: short stacking energy: -62.784
Base-Backbone interact. energy: 0.184
local terms energy: -68.958842
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -195.735315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.735315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.735315 (E_RNA)
where:
Base-Base interactions energy: -121.951
where: short stacking energy: -61.062
Base-Backbone interact. energy: -0.019
local terms energy: -73.765462
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -184.222334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.222334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.222334 (E_RNA)
where:
Base-Base interactions energy: -114.424
where: short stacking energy: -48.260
Base-Backbone interact. energy: -0.353
local terms energy: -69.445334
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -185.331531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.331531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.331531 (E_RNA)
where:
Base-Base interactions energy: -116.112
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.092
local terms energy: -69.127817
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -178.181065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.181065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.181065 (E_RNA)
where:
Base-Base interactions energy: -107.751
where: short stacking energy: -55.249
Base-Backbone interact. energy: -0.123
local terms energy: -70.307322
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -98.649044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.649044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.649044 (E_RNA)
where:
Base-Base interactions energy: -34.404
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.025
local terms energy: -64.220104
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -13.743
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: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -94.784546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.784546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.784546 (E_RNA)
where:
Base-Base interactions energy: -45.703
where: short stacking energy: -45.703
Base-Backbone interact. energy: -0.180
local terms energy: -48.901785
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -4.534
tors. eta vs tors. theta energy: -7.150
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: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -90.939901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.939901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.939901 (E_RNA)
where:
Base-Base interactions energy: -46.115
where: short stacking energy: -27.064
Base-Backbone interact. energy: -0.123
local terms energy: -44.701601
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -10.924
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: 2.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -84.872645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.872645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.872645 (E_RNA)
where:
Base-Base interactions energy: -22.851
where: short stacking energy: -22.851
Base-Backbone interact. energy: -0.048
local terms energy: -61.974016
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -2.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -71.844994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.844994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.844994 (E_RNA)
where:
Base-Base interactions energy: -31.956
where: short stacking energy: -21.000
Base-Backbone interact. energy: -0.032
local terms energy: -39.856762
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -4.164
tors. eta vs tors. theta energy: 2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -211.799274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.799274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.799274 (E_RNA)
where:
Base-Base interactions energy: -137.093
where: short stacking energy: -51.846
Base-Backbone interact. energy: -0.029
local terms energy: -74.677822
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -12.152
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: 2, replica: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -193.483018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.483018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.483018 (E_RNA)
where:
Base-Base interactions energy: -132.240
where: short stacking energy: -52.212
Base-Backbone interact. energy: 0.429
local terms energy: -61.671528
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -14.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -184.364933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.364933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.364933 (E_RNA)
where:
Base-Base interactions energy: -109.583
where: short stacking energy: -59.636
Base-Backbone interact. energy: -0.048
local terms energy: -74.734626
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -14.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -180.346910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.346910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.346910 (E_RNA)
where:
Base-Base interactions energy: -116.454
where: short stacking energy: -55.244
Base-Backbone interact. energy: -0.015
local terms energy: -63.878151
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -175.071856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.071856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.071856 (E_RNA)
where:
Base-Base interactions energy: -112.073
where: short stacking energy: -50.098
Base-Backbone interact. energy: -0.162
local terms energy: -62.836963
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -9.193
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -10.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -94.429188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.429188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.429188 (E_RNA)
where:
Base-Base interactions energy: -35.726
where: short stacking energy: -26.793
Base-Backbone interact. energy: -0.150
local terms energy: -58.552895
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -2.345
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: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -111.149072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.149072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.149072 (E_RNA)
where:
Base-Base interactions energy: -52.576
where: short stacking energy: -40.786
Base-Backbone interact. energy: 0.133
local terms energy: -58.705764
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -9.484
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: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -90.237544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.237544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.237544 (E_RNA)
where:
Base-Base interactions energy: -35.616
where: short stacking energy: -35.616
Base-Backbone interact. energy: -0.069
local terms energy: -54.552454
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -9.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -82.562259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.562259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.562259 (E_RNA)
where:
Base-Base interactions energy: -26.598
where: short stacking energy: -19.600
Base-Backbone interact. energy: -0.235
local terms energy: -55.729256
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -85.714391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.714391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.714391 (E_RNA)
where:
Base-Base interactions energy: -32.318
where: short stacking energy: -30.644
Base-Backbone interact. energy: 0.036
local terms energy: -53.432473
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -7.920
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: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -218.556414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.556414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.556414 (E_RNA)
where:
Base-Base interactions energy: -136.371
where: short stacking energy: -62.693
Base-Backbone interact. energy: -0.587
local terms energy: -81.597913
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -18.128
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: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -197.876243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.876243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.876243 (E_RNA)
where:
Base-Base interactions energy: -119.954
where: short stacking energy: -69.578
Base-Backbone interact. energy: 0.008
local terms energy: -77.930402
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -188.758902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.758902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.758902 (E_RNA)
where:
Base-Base interactions energy: -125.522
where: short stacking energy: -63.187
Base-Backbone interact. energy: -0.066
local terms energy: -63.170324
where:
bonds (distance) C4'-P energy: -6.722
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -173.202044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.202044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.202044 (E_RNA)
where:
Base-Base interactions energy: -103.277
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.002
local terms energy: -69.922755
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -178.757114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.757114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.757114 (E_RNA)
where:
Base-Base interactions energy: -106.849
where: short stacking energy: -51.012
Base-Backbone interact. energy: -1.255
local terms energy: -70.652921
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -87.903794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.903794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.903794 (E_RNA)
where:
Base-Base interactions energy: -35.783
where: short stacking energy: -34.612
Base-Backbone interact. energy: -0.229
local terms energy: -51.891513
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -89.052669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.052669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.052669 (E_RNA)
where:
Base-Base interactions energy: -34.398
where: short stacking energy: -30.545
Base-Backbone interact. energy: -0.021
local terms energy: -54.634089
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -10.414
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: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -83.215040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.215040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.215040 (E_RNA)
where:
Base-Base interactions energy: -36.047
where: short stacking energy: -29.918
Base-Backbone interact. energy: -0.034
local terms energy: -47.134236
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -9.670
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -5.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -76.893400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.893400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.893400 (E_RNA)
where:
Base-Base interactions energy: -22.575
where: short stacking energy: -21.886
Base-Backbone interact. energy: -0.815
local terms energy: -53.502925
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -76.050746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.050746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.050746 (E_RNA)
where:
Base-Base interactions energy: -22.250
where: short stacking energy: -19.286
Base-Backbone interact. energy: -1.395
local terms energy: -52.406652
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -7.937
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: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -212.772801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.772801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.772801 (E_RNA)
where:
Base-Base interactions energy: -137.421
where: short stacking energy: -64.636
Base-Backbone interact. energy: -0.001
local terms energy: -75.351290
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -211.102712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.102712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.102712 (E_RNA)
where:
Base-Base interactions energy: -128.363
where: short stacking energy: -70.090
Base-Backbone interact. energy: -2.252
local terms energy: -80.487706
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -11.866
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: 3, replica: 4
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -189.988442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.988442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.988442 (E_RNA)
where:
Base-Base interactions energy: -119.188
where: short stacking energy: -63.578
Base-Backbone interact. energy: -0.026
local terms energy: -70.775107
where:
bonds (distance) C4'-P energy: -11.878
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -18.386
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: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -183.679602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.679602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.679602 (E_RNA)
where:
Base-Base interactions energy: -117.243
where: short stacking energy: -53.632
Base-Backbone interact. energy: -0.108
local terms energy: -66.328636
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -185.493032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.493032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.493032 (E_RNA)
where:
Base-Base interactions energy: -116.762
where: short stacking energy: -57.675
Base-Backbone interact. energy: -0.088
local terms energy: -68.642531
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -13.901
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: 9
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -89.691576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.691576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.691576 (E_RNA)
where:
Base-Base interactions energy: -38.749
where: short stacking energy: -24.363
Base-Backbone interact. energy: -0.249
local terms energy: -50.692615
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -97.231730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.231730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.231730 (E_RNA)
where:
Base-Base interactions energy: -39.229
where: short stacking energy: -38.748
Base-Backbone interact. energy: -0.010
local terms energy: -57.993524
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -82.753090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.753090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.753090 (E_RNA)
where:
Base-Base interactions energy: -32.416
where: short stacking energy: -27.751
Base-Backbone interact. energy: -0.067
local terms energy: -50.270016
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -2.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -80.978212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.978212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.978212 (E_RNA)
where:
Base-Base interactions energy: -31.214
where: short stacking energy: -25.980
Base-Backbone interact. energy: -0.301
local terms energy: -49.463566
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -9.987
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -2.610
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: 6
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -67.497804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.497804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.497804 (E_RNA)
where:
Base-Base interactions energy: -17.183
where: short stacking energy: -17.183
Base-Backbone interact. energy: 0.188
local terms energy: -50.502957
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -0.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -208.989224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.989224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.989224 (E_RNA)
where:
Base-Base interactions energy: -133.674
where: short stacking energy: -64.084
Base-Backbone interact. energy: -0.005
local terms energy: -75.310951
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -19.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -195.767174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.767174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.767174 (E_RNA)
where:
Base-Base interactions energy: -126.579
where: short stacking energy: -63.345
Base-Backbone interact. energy: -0.156
local terms energy: -69.031519
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -175.426654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.426654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.426654 (E_RNA)
where:
Base-Base interactions energy: -106.528
where: short stacking energy: -54.824
Base-Backbone interact. energy: -0.363
local terms energy: -68.536336
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -12.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -183.503329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.503329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.503329 (E_RNA)
where:
Base-Base interactions energy: -114.163
where: short stacking energy: -57.411
Base-Backbone interact. energy: -0.051
local terms energy: -69.289428
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: -17.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -198.550938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.550938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.550938 (E_RNA)
where:
Base-Base interactions energy: -128.934
where: short stacking energy: -61.640
Base-Backbone interact. energy: -0.020
local terms energy: -69.597230
where:
bonds (distance) C4'-P energy: -10.160
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -18.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -102.392284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.392284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.392284 (E_RNA)
where:
Base-Base interactions energy: -44.555
where: short stacking energy: -38.163
Base-Backbone interact. energy: -0.096
local terms energy: -57.741168
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -11.016
flat angles P-C4'-P energy: -7.216
tors. eta vs tors. theta energy: -11.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -84.817096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.817096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.817096 (E_RNA)
where:
Base-Base interactions energy: -36.706
where: short stacking energy: -26.572
Base-Backbone interact. energy: -0.688
local terms energy: -47.423695
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -6.448
flat angles P-C4'-P energy: -1.021
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -79.967902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.967902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.967902 (E_RNA)
where:
Base-Base interactions energy: -30.743
where: short stacking energy: -23.773
Base-Backbone interact. energy: -0.010
local terms energy: -49.215358
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -12.891
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -5.222
tors. eta vs tors. theta energy: -0.312
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: 493
Temperature: 1.300000
Total energy: -80.258204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.258204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.258204 (E_RNA)
where:
Base-Base interactions energy: -28.539
where: short stacking energy: -21.465
Base-Backbone interact. energy: -0.230
local terms energy: -51.489353
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -6.643
tors. eta vs tors. theta energy: -2.251
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: 493
Temperature: 1.350000
Total energy: -73.753235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.753235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.753235 (E_RNA)
where:
Base-Base interactions energy: -21.032
where: short stacking energy: -21.032
Base-Backbone interact. energy: -0.103
local terms energy: -52.618905
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -11.468
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: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -203.092384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.092384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.092384 (E_RNA)
where:
Base-Base interactions energy: -141.361
where: short stacking energy: -56.337
Base-Backbone interact. energy: -0.618
local terms energy: -61.113332
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -14.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -205.130485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.130485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.130485 (E_RNA)
where:
Base-Base interactions energy: -125.708
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.410
local terms energy: -79.012927
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -190.809617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.809617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.809617 (E_RNA)
where:
Base-Base interactions energy: -123.673
where: short stacking energy: -61.048
Base-Backbone interact. energy: -0.260
local terms energy: -66.876432
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -17.856
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: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -192.405373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.405373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.405373 (E_RNA)
where:
Base-Base interactions energy: -118.947
where: short stacking energy: -51.325
Base-Backbone interact. energy: -0.008
local terms energy: -73.449975
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -19.372
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: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -178.310148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.310148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.310148 (E_RNA)
where:
Base-Base interactions energy: -112.249
where: short stacking energy: -48.252
Base-Backbone interact. energy: 1.491
local terms energy: -67.552817
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -13.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -104.858001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.858001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.858001 (E_RNA)
where:
Base-Base interactions energy: -50.965
where: short stacking energy: -32.731
Base-Backbone interact. energy: -0.154
local terms energy: -53.738698
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -10.658
flat angles P-C4'-P energy: -8.726
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: 7, replica: 1
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -93.958651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.958651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.958651 (E_RNA)
where:
Base-Base interactions energy: -40.424
where: short stacking energy: -36.610
Base-Backbone interact. energy: -0.215
local terms energy: -53.319220
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -81.141011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.141011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.141011 (E_RNA)
where:
Base-Base interactions energy: -38.740
where: short stacking energy: -33.296
Base-Backbone interact. energy: -0.180
local terms energy: -42.221218
where:
bonds (distance) C4'-P energy: -7.562
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -3.650
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -85.513817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.513817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.513817 (E_RNA)
where:
Base-Base interactions energy: -32.261
where: short stacking energy: -32.261
Base-Backbone interact. energy: -0.145
local terms energy: -53.107996
where:
bonds (distance) C4'-P energy: -13.829
bonds (distance) P-C4' energy: -14.251
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -7.615
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: 10, replica: 6
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -95.741675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.741675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.741675 (E_RNA)
where:
Base-Base interactions energy: -34.775
where: short stacking energy: -34.775
Base-Backbone interact. energy: -0.058
local terms energy: -60.908849
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -207.772441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.772441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.772441 (E_RNA)
where:
Base-Base interactions energy: -132.482
where: short stacking energy: -68.360
Base-Backbone interact. energy: -0.009
local terms energy: -75.281851
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -18.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -200.214845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.214845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.214845 (E_RNA)
where:
Base-Base interactions energy: -130.595
where: short stacking energy: -57.668
Base-Backbone interact. energy: -0.681
local terms energy: -68.938997
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -13.240
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: 3, replica: 10
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -182.776500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.776500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.776500 (E_RNA)
where:
Base-Base interactions energy: -115.558
where: short stacking energy: -57.174
Base-Backbone interact. energy: 0.017
local terms energy: -67.235583
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -9.125
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -15.004
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: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -193.564110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.564110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.564110 (E_RNA)
where:
Base-Base interactions energy: -127.564
where: short stacking energy: -65.025
Base-Backbone interact. energy: -0.160
local terms energy: -65.840149
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -13.662
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -18.530
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: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -184.300376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.300376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.300376 (E_RNA)
where:
Base-Base interactions energy: -113.030
where: short stacking energy: -59.650
Base-Backbone interact. energy: -1.099
local terms energy: -70.171016
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -18.246
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: 7
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -114.388487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.388487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.388487 (E_RNA)
where:
Base-Base interactions energy: -56.459
where: short stacking energy: -35.245
Base-Backbone interact. energy: -0.726
local terms energy: -57.202793
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -9.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -89.077733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.077733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.077733 (E_RNA)
where:
Base-Base interactions energy: -43.825
where: short stacking energy: -27.549
Base-Backbone interact. energy: -0.022
local terms energy: -45.230512
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -5.363
tors. eta vs tors. theta energy: -3.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -79.581531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.581531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.581531 (E_RNA)
where:
Base-Base interactions energy: -28.249
where: short stacking energy: -16.431
Base-Backbone interact. energy: -0.350
local terms energy: -50.983027
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -3.154
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: 8
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -103.194651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.194651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.194651 (E_RNA)
where:
Base-Base interactions energy: -47.609
where: short stacking energy: -46.618
Base-Backbone interact. energy: -0.119
local terms energy: -55.467484
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -10.029
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -11.860
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: 6
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -76.879184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.879184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.879184 (E_RNA)
where:
Base-Base interactions energy: -23.971
where: short stacking energy: -21.817
Base-Backbone interact. energy: -0.184
local terms energy: -52.723949
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: 0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -194.411713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.411713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.411713 (E_RNA)
where:
Base-Base interactions energy: -120.805
where: short stacking energy: -61.535
Base-Backbone interact. energy: -0.019
local terms energy: -73.587984
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -17.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -203.675976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.675976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.675976 (E_RNA)
where:
Base-Base interactions energy: -134.874
where: short stacking energy: -52.154
Base-Backbone interact. energy: -0.060
local terms energy: -68.741913
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -11.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -192.611281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.611281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.611281 (E_RNA)
where:
Base-Base interactions energy: -124.169
where: short stacking energy: -52.716
Base-Backbone interact. energy: -0.010
local terms energy: -68.432644
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -188.313284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.313284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.313284 (E_RNA)
where:
Base-Base interactions energy: -111.712
where: short stacking energy: -64.816
Base-Backbone interact. energy: -0.001
local terms energy: -76.600092
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -183.451976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.451976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.451976 (E_RNA)
where:
Base-Base interactions energy: -114.833
where: short stacking energy: -55.369
Base-Backbone interact. energy: -0.042
local terms energy: -68.576921
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -91.389200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.389200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.389200 (E_RNA)
where:
Base-Base interactions energy: -34.114
where: short stacking energy: -34.114
Base-Backbone interact. energy: -0.766
local terms energy: -56.509664
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -1.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -92.294795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.294795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.294795 (E_RNA)
where:
Base-Base interactions energy: -34.531
where: short stacking energy: -32.234
Base-Backbone interact. energy: 0.442
local terms energy: -58.206129
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -6.304
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: 8, replica: 9
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -100.040608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.040608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.040608 (E_RNA)
where:
Base-Base interactions energy: -47.504
where: short stacking energy: -27.483
Base-Backbone interact. energy: -0.120
local terms energy: -52.415769
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -2.915
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: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -83.579486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.579486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.579486 (E_RNA)
where:
Base-Base interactions energy: -31.364
where: short stacking energy: -31.364
Base-Backbone interact. energy: -0.166
local terms energy: -52.049269
where:
bonds (distance) C4'-P energy: -7.390
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -6.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -69.980371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.980371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.980371 (E_RNA)
where:
Base-Base interactions energy: -23.470
where: short stacking energy: -22.869
Base-Backbone interact. energy: -0.143
local terms energy: -46.367737
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -9.138
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -2.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -202.620201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.620201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.620201 (E_RNA)
where:
Base-Base interactions energy: -123.707
where: short stacking energy: -63.077
Base-Backbone interact. energy: -0.101
local terms energy: -78.812218
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -17.388
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: 497
Temperature: 0.950000
Total energy: -198.057785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.057785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.057785 (E_RNA)
where:
Base-Base interactions energy: -124.231
where: short stacking energy: -63.362
Base-Backbone interact. energy: -0.077
local terms energy: -73.749157
where:
bonds (distance) C4'-P energy: -15.592
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -182.151934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.151934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.151934 (E_RNA)
where:
Base-Base interactions energy: -105.967
where: short stacking energy: -44.767
Base-Backbone interact. energy: -0.516
local terms energy: -75.669534
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -11.364
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: 4, replica: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -193.419836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.419836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.419836 (E_RNA)
where:
Base-Base interactions energy: -119.062
where: short stacking energy: -63.877
Base-Backbone interact. energy: -0.387
local terms energy: -73.971343
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -13.230
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: 3
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -182.301294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.301294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.301294 (E_RNA)
where:
Base-Base interactions energy: -116.661
where: short stacking energy: -54.027
Base-Backbone interact. energy: -0.633
local terms energy: -65.007227
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -7.615
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: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -114.200418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.200418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.200418 (E_RNA)
where:
Base-Base interactions energy: -55.752
where: short stacking energy: -36.964
Base-Backbone interact. energy: -0.351
local terms energy: -58.096929
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -13.594
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -6.463
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: 497
Temperature: 1.200000
Total energy: -93.940576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.940576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.940576 (E_RNA)
where:
Base-Base interactions energy: -44.844
where: short stacking energy: -38.463
Base-Backbone interact. energy: 0.883
local terms energy: -49.980265
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -79.122103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.122103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.122103 (E_RNA)
where:
Base-Base interactions energy: -27.081
where: short stacking energy: -26.005
Base-Backbone interact. energy: -0.175
local terms energy: -51.866058
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -80.316746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.316746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.316746 (E_RNA)
where:
Base-Base interactions energy: -37.865
where: short stacking energy: -26.440
Base-Backbone interact. energy: 0.891
local terms energy: -43.342978
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -6.570
flat angles P-C4'-P energy: -7.880
tors. eta vs tors. theta energy: -1.238
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: 8
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -75.726107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.726107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.726107 (E_RNA)
where:
Base-Base interactions energy: -31.258
where: short stacking energy: -29.958
Base-Backbone interact. energy: -0.105
local terms energy: -44.363614
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -0.434
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -216.216703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.216703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.216703 (E_RNA)
where:
Base-Base interactions energy: -137.334
where: short stacking energy: -66.589
Base-Backbone interact. energy: -2.059
local terms energy: -76.823135
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -20.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -191.209186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.209186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.209186 (E_RNA)
where:
Base-Base interactions energy: -108.960
where: short stacking energy: -51.777
Base-Backbone interact. energy: -0.035
local terms energy: -82.214937
where:
bonds (distance) C4'-P energy: -18.280
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -15.272
tors. eta vs tors. theta energy: -13.032
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: 4
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -197.141661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.141661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.141661 (E_RNA)
where:
Base-Base interactions energy: -121.006
where: short stacking energy: -63.811
Base-Backbone interact. energy: -0.007
local terms energy: -76.129120
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -19.299
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: 10
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -172.312349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.312349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.312349 (E_RNA)
where:
Base-Base interactions energy: -105.346
where: short stacking energy: -54.961
Base-Backbone interact. energy: -0.600
local terms energy: -66.365888
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -13.788
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: 3
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -184.086538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.086538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.086538 (E_RNA)
where:
Base-Base interactions energy: -111.968
where: short stacking energy: -52.420
Base-Backbone interact. energy: -0.003
local terms energy: -72.115174
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -109.541752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.541752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.541752 (E_RNA)
where:
Base-Base interactions energy: -60.831
where: short stacking energy: -33.917
Base-Backbone interact. energy: -0.218
local terms energy: -48.493286
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -2.577
tors. eta vs tors. theta energy: -8.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -90.368365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.368365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.368365 (E_RNA)
where:
Base-Base interactions energy: -47.218
where: short stacking energy: -47.218
Base-Backbone interact. energy: -0.038
local terms energy: -43.111885
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -4.107
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -82.676299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.676299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.676299 (E_RNA)
where:
Base-Base interactions energy: -36.714
where: short stacking energy: -27.453
Base-Backbone interact. energy: -0.449
local terms energy: -45.514189
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -9.918
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -1.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -87.944928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.944928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.944928 (E_RNA)
where:
Base-Base interactions energy: -33.276
where: short stacking energy: -33.175
Base-Backbone interact. energy: 1.015
local terms energy: -55.684160
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -3.880
tors. eta vs tors. theta energy: -8.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -70.987100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.987100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.987100 (E_RNA)
where:
Base-Base interactions energy: -25.412
where: short stacking energy: -16.267
Base-Backbone interact. energy: -0.145
local terms energy: -45.430667
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -7.331
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: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -222.111761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.111761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.111761 (E_RNA)
where:
Base-Base interactions energy: -144.030
where: short stacking energy: -71.114
Base-Backbone interact. energy: -0.708
local terms energy: -77.373517
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -16.053
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -194.254582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.254582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.254582 (E_RNA)
where:
Base-Base interactions energy: -119.709
where: short stacking energy: -55.356
Base-Backbone interact. energy: -0.072
local terms energy: -74.473346
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -20.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -172.635554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.635554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.635554 (E_RNA)
where:
Base-Base interactions energy: -107.737
where: short stacking energy: -51.454
Base-Backbone interact. energy: -0.164
local terms energy: -64.733756
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -186.052831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.052831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.052831 (E_RNA)
where:
Base-Base interactions energy: -122.981
where: short stacking energy: -57.469
Base-Backbone interact. energy: -0.119
local terms energy: -62.952537
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -15.332
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -8.468
tors. eta vs tors. theta energy: -13.267
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: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -169.455755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.455755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.455755 (E_RNA)
where:
Base-Base interactions energy: -114.745
where: short stacking energy: -51.299
Base-Backbone interact. energy: 0.059
local terms energy: -54.770220
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -7.551
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -12.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -84.697766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.697766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.697766 (E_RNA)
where:
Base-Base interactions energy: -33.443
where: short stacking energy: -33.443
Base-Backbone interact. energy: -0.124
local terms energy: -51.131270
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -9.210
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -94.028878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.028878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.028878 (E_RNA)
where:
Base-Base interactions energy: -33.331
where: short stacking energy: -33.331
Base-Backbone interact. energy: -0.001
local terms energy: -60.697135
where:
bonds (distance) C4'-P energy: -13.433
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -9.677
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -10.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -86.574826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.574826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.574826 (E_RNA)
where:
Base-Base interactions energy: -32.527
where: short stacking energy: -27.075
Base-Backbone interact. energy: -0.134
local terms energy: -53.913945
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -95.258583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.258583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.258583 (E_RNA)
where:
Base-Base interactions energy: -36.412
where: short stacking energy: -35.295
Base-Backbone interact. energy: -0.032
local terms energy: -58.814131
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -8.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -76.263068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.263068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.263068 (E_RNA)
where:
Base-Base interactions energy: -22.788
where: short stacking energy: -22.788
Base-Backbone interact. energy: -0.105
local terms energy: -53.369983
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -192.718881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.718881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.718881 (E_RNA)
where:
Base-Base interactions energy: -124.752
where: short stacking energy: -67.565
Base-Backbone interact. energy: -0.971
local terms energy: -66.996199
where:
bonds (distance) C4'-P energy: -8.105
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -15.657
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: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -198.039529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.039529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.039529 (E_RNA)
where:
Base-Base interactions energy: -122.968
where: short stacking energy: -54.659
Base-Backbone interact. energy: -0.034
local terms energy: -75.037754
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -8.766
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: 3
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -192.463838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.463838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.463838 (E_RNA)
where:
Base-Base interactions energy: -123.056
where: short stacking energy: -62.471
Base-Backbone interact. energy: 1.190
local terms energy: -70.597782
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -192.308599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.308599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.308599 (E_RNA)
where:
Base-Base interactions energy: -125.281
where: short stacking energy: -65.260
Base-Backbone interact. energy: -0.720
local terms energy: -66.308427
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -173.780025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.780025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.780025 (E_RNA)
where:
Base-Base interactions energy: -104.328
where: short stacking energy: -41.439
Base-Backbone interact. energy: -0.614
local terms energy: -68.838056
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -7.996
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: 6
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -94.187229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.187229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.187229 (E_RNA)
where:
Base-Base interactions energy: -40.184
where: short stacking energy: -23.914
Base-Backbone interact. energy: -0.215
local terms energy: -53.787944
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -12.003
flat angles P-C4'-P energy: -8.812
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: 7, replica: 8
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -113.857790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.857790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.857790 (E_RNA)
where:
Base-Base interactions energy: -58.245
where: short stacking energy: -37.946
Base-Backbone interact. energy: -0.507
local terms energy: -55.106205
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -10.814
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -8.162
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: 8, replica: 7
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -82.899865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.899865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.899865 (E_RNA)
where:
Base-Base interactions energy: -31.136
where: short stacking energy: -31.136
Base-Backbone interact. energy: -0.141
local terms energy: -51.623024
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -4.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -77.311369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.311369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.311369 (E_RNA)
where:
Base-Base interactions energy: -25.746
where: short stacking energy: -19.839
Base-Backbone interact. energy: -0.295
local terms energy: -51.271305
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: -3.750
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: 10, replica: 1
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -71.074807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.074807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.074807 (E_RNA)
where:
Base-Base interactions energy: -22.081
where: short stacking energy: -22.081
Base-Backbone interact. energy: -0.193
local terms energy: -48.801069
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -11.328
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -204.344582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.344582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.344582 (E_RNA)
where:
Base-Base interactions energy: -127.639
where: short stacking energy: -66.470
Base-Backbone interact. energy: -0.064
local terms energy: -76.641347
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -18.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -199.248405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.248405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.248405 (E_RNA)
where:
Base-Base interactions energy: -123.442
where: short stacking energy: -62.940
Base-Backbone interact. energy: -0.109
local terms energy: -75.696830
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -20.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -195.833228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.833228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.833228 (E_RNA)
where:
Base-Base interactions energy: -120.232
where: short stacking energy: -69.196
Base-Backbone interact. energy: -1.627
local terms energy: -73.974221
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -20.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -172.368920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.368920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.368920 (E_RNA)
where:
Base-Base interactions energy: -112.669
where: short stacking energy: -49.997
Base-Backbone interact. energy: -0.017
local terms energy: -59.683477
where:
bonds (distance) C4'-P energy: -9.118
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -6.095
tors. eta vs tors. theta energy: -13.166
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: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -168.314286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.314286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.314286 (E_RNA)
where:
Base-Base interactions energy: -105.632
where: short stacking energy: -49.518
Base-Backbone interact. energy: -0.184
local terms energy: -62.497832
where:
bonds (distance) C4'-P energy: -12.919
bonds (distance) P-C4' energy: -9.973
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -17.367
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: 6
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -99.323116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.323116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.323116 (E_RNA)
where:
Base-Base interactions energy: -43.321
where: short stacking energy: -24.659
Base-Backbone interact. energy: -0.059
local terms energy: -55.943837
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -5.322
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: 8
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -93.258499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.258499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.258499 (E_RNA)
where:
Base-Base interactions energy: -31.528
where: short stacking energy: -29.600
Base-Backbone interact. energy: -0.123
local terms energy: -61.607626
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -78.792355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.792355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.792355 (E_RNA)
where:
Base-Base interactions energy: -28.189
where: short stacking energy: -25.051
Base-Backbone interact. energy: -0.105
local terms energy: -50.497812
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -2.685
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: 9, replica: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -77.753844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.753844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.753844 (E_RNA)
where:
Base-Base interactions energy: -35.996
where: short stacking energy: -19.685
Base-Backbone interact. energy: 1.902
local terms energy: -43.659815
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: 4.914
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: 1
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -78.552211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.552211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.552211 (E_RNA)
where:
Base-Base interactions energy: -29.423
where: short stacking energy: -28.617
Base-Backbone interact. energy: 0.437
local terms energy: -49.565917
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -2.451
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)
replica 3 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 13880892
moves confirmed later: 15648962
all moves confirmed: 29529854
percent of confirmed moves: 3.691232
current total energy: -165.957697
recalc. total energy: -165.957697
replica 2 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 15832408
moves confirmed later: 18268865
all moves confirmed: 34101273
percent of confirmed moves: 4.262659
current total energy: -169.369738
recalc. total energy: -169.369738
replica 5 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 15830460
moves confirmed later: 18261707
all moves confirmed: 34092167
percent of confirmed moves: 4.261521
current total energy: -153.522630
recalc. total energy: -153.522630
replica 4 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 20478090
moves confirmed later: 24516815
all moves confirmed: 44994905
percent of confirmed moves: 5.624363
current total energy: -165.602458
recalc. total energy: -165.602458
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 17471168
moves confirmed later: 20555944
all moves confirmed: 38027112
percent of confirmed moves: 4.753389
current total energy: -128.453419
recalc. total energy: -128.453419
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 25743657
moves confirmed later: 31508361
all moves confirmed: 57252018
percent of confirmed moves: 7.156502
current total energy: -43.716523
recalc. total energy: -43.716523
replica 9 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 24278919
moves confirmed later: 29509702
all moves confirmed: 53788621
percent of confirmed moves: 6.723578
current total energy: -53.902725
recalc. total energy: -53.902725
replica 8 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 17189039
moves confirmed later: 20165066
all moves confirmed: 37354105
percent of confirmed moves: 4.669263
current total energy: -56.819154
recalc. total energy: -56.819154
replica 7 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 24990059
moves confirmed later: 30463429
all moves confirmed: 55453488
percent of confirmed moves: 6.931686
current total energy: -33.691790
recalc. total energy: -33.691790
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 22357369
moves confirmed later: 26964825
all moves confirmed: 49322194
percent of confirmed moves: 6.165274
current total energy: -17.450365
recalc. total energy: -17.450365
out arg RESULTS//1/36-VP1-79e8947d_01
Time of doing 8000000 iterations: 1996.674 seconds